4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide

C15H28N2O2 — CID 115151536

IUPAC4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CCC(O)(CN)CC1
InChIInChI=1S/C15H28N2O2/c1-17(10-12-4-2-3-5-12)14(18)13-6-8-15(19,11-16)9-7-13/h12-13,19H,2-11,16H2,1H3
InChIKeyBOJXHZWIGWOAFD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds4

About 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 115151536) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID115151536
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1CCCC1)C(=O)C1CCC(O)(CN)CC1
InChIInChI=1S/C15H28N2O2/c1-17(10-12-4-2-3-5-12)14(18)13-6-8-15(19,11-16)9-7-13/h12-13,19H,2-11,16H2,1H3
InChIKeyBOJXHZWIGWOAFD-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
4-amino-4-cyano-N-(cyclopentylmethyl)-N-methylcyclohexane-1-carboxamide
CID 115151311
4-[cyclopentylmethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783865
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methylcyclopropane-1-carboxamide
CID 80598771
N-(cyclopentylmethyl)-4-(2-hydroxyethyl)-N-methylcyclohexane-1-carboxamide
CID 115151025
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methylcyclopentanecarboxamide
CID 115272653
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
9-amino-N-(cyclobutylmethyl)-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989590
methyl 4-(aminomethyl)-4-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 75537501
4-tert-butyl-N-methyl-N-(piperidin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79700426

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide (CID 115151536) is 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide is CN(CC1CCCC1)C(=O)C1CCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is BOJXHZWIGWOAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-17(10-12-4-2-3-5-12)14(18)13-6-8-15(19,11-16)9-7-13/h12-13,19H,2-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115151536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).