3-(aminomethyl)-N-propylcyclohexane-1-carboxamide

C11H22N2O — CID 62807267

IUPAC3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CCCC(CN)C1
InChIInChI=1S/C11H22N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyBJZTUGLFDVGRIQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.28
Rot. Bonds4

About 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide

3-(aminomethyl)-N-propylcyclohexane-1-carboxamide (PubChem CID 62807267) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
PubChem CID62807267
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(aminomethyl)-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1CCCC(CN)C1
InChIInChI=1S/C11H22N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeyBJZTUGLFDVGRIQ-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamidoethyl)-3-(aminomethyl)cyclohexane-1-carboxamide
CID 62806418
3-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]cyclohexane-1-carboxamide
CID 62808201
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
N-propylcyclooctanecarboxamide
CID 65022755
3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 55115083
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
3-N-propylcyclopentane-1,3-dicarboxamide
CID 68522945
3-(aminomethyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 62992278
3-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]cyclohexane-1-carboxamide
CID 63899029
3-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808359
methyl 3-(aminomethyl)cyclohexane-1-carboxylate;hydrochloride
CID 154562144

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide (CID 62807267) is 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide?
The InChIKey is BJZTUGLFDVGRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide?
3-(aminomethyl)-N-propylcyclohexane-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 62807267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).