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Chemical ID: 7256838
Chemical ID:
7256838
Name [?]:
N-cyclopentyl-2-(1-methylbutylamino)propanamide
SMILES [?]:
CCCC(C)NC(C)C(=O)NC1CCCC1
InChi [?]:
InChI=1/C13H26N2O/c1-4-7-10(2)14-11(3)13(16)15-12-8-5-6-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,8,2,14,15,3,13,16,4,7,12,9,6,11,10/E:(5,6)(8,9)/rA:16cCCCCCNCCCONCCCCC/rB:s1;s2;s3;s4;s4;s6;s7;s7;d9;s9;s11;s12;s13;s14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H26N2O |
All Atoms: | 42 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.24171 |
Area: | 446.208 |
Solvation: | -1.91349 |
Coulombic: | -31.0979 |
Bond Count [?]
All: | 16 |
Single: | 15 |
Double: | 1 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 226.358 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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