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Chemical ID: 4671136
Chemical ID:
4671136
Name [?]:
1-(3-methylpentyl)piperidine
SMILES [?]:
CCC(C)CCN1CCCCC1
InChi [?]:
InChI=1/C11H23N/c1-3-11(2)7-10-12-8-5-4-6-9-12/h11H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,10,9,11,5,8,12,6,3,7/E:(5,6)(8,9)/rA:12cCCCCCCNCCCCC/rB:s1;s2;s3;s3;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.44414 |
Area: | 363.8 |
Solvation: | -0.650867 |
Coulombic: | -6.71755 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 169.307 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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