1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide

C15H28N2O — CID 80598201

IUPAC1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC2CCCCC2(C)C)C1
InChIInChI=1S/C15H28N2O/c1-11-8-15(9-11,10-16)13(18)17-12-6-4-5-7-14(12,2)3/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyZJRQZVMUGHLEKS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.45
Rot. Bonds3

About 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80598201) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80598201
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NC2CCCCC2(C)C)C1
InChIInChI=1S/C15H28N2O/c1-11-8-15(9-11,10-16)13(18)17-12-6-4-5-7-14(12,2)3/h11-12H,4-10,16H2,1-3H3,(H,17,18)
InChIKeyZJRQZVMUGHLEKS-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 114094852
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
2-amino-N-(2,2-dimethylcyclohexyl)-1-methylcyclopentane-1-carboxamide
CID 82768367
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
1-(aminomethyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 80588230
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79872847
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
N-(2,2-dimethylcyclohexyl)-2-methyl-2-(methylamino)propanamide
CID 79878472

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide (CID 80598201) is 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NC2CCCCC2(C)C)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is ZJRQZVMUGHLEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-8-15(9-11,10-16)13(18)17-12-6-4-5-7-14(12,2)3/h11-12H,4-10,16H2,1-3H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80598201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).