1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide

C13H24N2O — CID 81169428

IUPAC1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(N)CCC2)C(C)C1
InChIInChI=1S/C13H24N2O/c1-9-4-5-11(10(2)8-9)15-12(16)13(14)6-3-7-13/h9-11H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyQKNVDNUQOVPAJS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds2

About 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide

1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide (PubChem CID 81169428) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
PubChem CID81169428
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(N)CCC2)C(C)C1
InChIInChI=1S/C13H24N2O/c1-9-4-5-11(10(2)8-9)15-12(16)13(14)6-3-7-13/h9-11H,3-8,14H2,1-2H3,(H,15,16)
InChIKeyQKNVDNUQOVPAJS-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
CID 81169316
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
1-amino-N-(4-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 122081101
1-amino-3-methyl-N-(2-methylcyclopentyl)cyclohexane-1-carboxamide
CID 64553819
1-amino-N-(2,3-dimethylcyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 64909548
2-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816419
1-amino-N-(2-cyclohexylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119335207
3-[(2,4-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836209
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292
1-amino-N-[(1S,2S)-2-hydroxycyclohexyl]cyclopentane-1-carboxamide
CID 94415546
N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
CID 119784936

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide (CID 81169428) is 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide is CC1CCC(NC(=O)C2(N)CCC2)C(C)C1.
What is the InChIKey of 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The InChIKey is QKNVDNUQOVPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-4-5-11(10(2)8-9)15-12(16)13(14)6-3-7-13/h9-11H,3-8,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dimethylcyclohexyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81169428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).