1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide

C15H28N2O2 — CID 104966706

IUPAC1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-11-6-8-15(10-16,9-7-11)14(19)17-12-2-4-13(18)5-3-12/h11-13,18H,2-10,16H2,1H3,(H,17,19)
InChIKeyDQYPKPFBZSDUOF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.56
Rot. Bonds3

About 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide

1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 104966706) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
PubChem CID104966706
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCC(O)CC2)CC1
InChIInChI=1S/C15H28N2O2/c1-11-6-8-15(10-16,9-7-11)14(19)17-12-2-4-13(18)5-3-12/h11-13,18H,2-10,16H2,1H3,(H,17,19)
InChIKeyDQYPKPFBZSDUOF-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
CID 115442068
1-(aminomethyl)-N-(1-cyclopropylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 115441634
1-(aminomethyl)-4-methyl-N-(1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 115441631
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-(aminomethyl)-N-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxamide
CID 71234398
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
CID 115452571
1-(aminomethyl)-N-(2,2-dimethylpropyl)-4-methylcyclohexane-1-carboxamide
CID 113310485
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(4-hydroxycyclohexyl)-3-(4-methylcyclohexyl)urea
CID 47164010
1-(aminomethyl)-4-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 115442318
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-4-methyl-N-[3-oxo-3-(propylamino)propyl]cyclohexane-1-carboxamide
CID 115442026

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide (CID 104966706) is 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NC2CCC(O)CC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is DQYPKPFBZSDUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-6-8-15(10-16,9-7-11)14(19)17-12-2-4-13(18)5-3-12/h11-13,18H,2-10,16H2,1H3,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide?
1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 104966706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).