1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide

C16H30N2O — CID 63996093

IUPAC1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(CN)CCCCC2)C(C)C1
InChIInChI=1S/C16H30N2O/c1-12-6-7-14(13(2)10-12)18-15(19)16(11-17)8-4-3-5-9-16/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyDDBXMILPBPTBTO-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.84
Rot. Bonds3

About 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 63996093) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID63996093
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(CN)CCCCC2)C(C)C1
InChIInChI=1S/C16H30N2O/c1-12-6-7-14(13(2)10-12)18-15(19)16(11-17)8-4-3-5-9-16/h12-14H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyDDBXMILPBPTBTO-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 81169428
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(aminomethyl)-N-[(3-methylcyclopentyl)methyl]cycloheptane-1-carboxamide
CID 107412357
1-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82726373
1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
CID 115443799
4-amino-N-(2,4-dimethylcyclohexyl)butanamide
CID 63997351
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
1-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103809820
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide (CID 63996093) is 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide is CC1CCC(NC(=O)C2(CN)CCCCC2)C(C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is DDBXMILPBPTBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12-6-7-14(13(2)10-12)18-15(19)16(11-17)8-4-3-5-9-16/h12-14H,3-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63996093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).