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Chemical ID: 5021160
Chemical ID:
5021160
Name [?]:
1-diethylamino-6-methyl-heptan-2-ol
SMILES [?]:
CCN(CC)CC(CCCC(C)C)O
InChi [?]:
InChI=1/C12H27NO/c1-5-13(6-2)10-12(14)9-7-8-11(3)4/h11-12,14H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,12,13,2,4,9,10,8,6,11,7,3,14/E:(1,2)(3,4)(5,6)/rA:14cCCNCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s11;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H27NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.78289 |
Area: | 429.841 |
Solvation: | -1.96314 |
Coulombic: | -23.3675 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 201.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.23 |
LogP (Chemaxon): | 2.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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