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

C15H29N3O — CID 115442068

IUPACN-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCC(N)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-11-6-8-15(10-16,9-7-11)14(19)18-13-4-2-12(17)3-5-13/h11-13H,2-10,16-17H2,1H3,(H,18,19)
InChIKeyZNTFQNAEDVVCLG-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.53
Rot. Bonds3

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

N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 115442068) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
PubChem CID115442068
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NC2CCC(N)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-11-6-8-15(10-16,9-7-11)14(19)18-13-4-2-12(17)3-5-13/h11-13H,2-10,16-17H2,1H3,(H,18,19)
InChIKeyZNTFQNAEDVVCLG-UHFFFAOYSA-N
XLogP1.53
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-hydroxycyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 104966706
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-amino-N-(4-aminocyclohexyl)cyclopropane-1-carboxamide
CID 65466451
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 N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide (CID 115442068) is N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NC2CCC(N)CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is ZNTFQNAEDVVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-6-8-15(10-16,9-7-11)14(19)18-13-4-2-12(17)3-5-13/h11-13H,2-10,16-17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide?
N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(aminomethyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 115442068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).