1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide

C13H24N2O — CID 64550637

IUPAC1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2CCC2)C1
InChIInChI=1S/C13H24N2O/c1-10-4-3-7-13(14,8-10)12(16)15-9-11-5-2-6-11/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyHUJVPWNLROVOBC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds3

About 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 64550637) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
PubChem CID64550637
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
SMILESCC1CCCC(N)(C(=O)NCC2CCC2)C1
InChIInChI=1S/C13H24N2O/c1-10-4-3-7-13(14,8-10)12(16)15-9-11-5-2-6-11/h10-11H,2-9,14H2,1H3,(H,15,16)
InChIKeyHUJVPWNLROVOBC-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-3-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 64551479
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-[(3-methylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 103809810
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555
1-amino-N-(cyclopentylmethyl)cyclopropane-1-carboxamide
CID 65463779
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64548994

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide (CID 64550637) is 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide is CC1CCCC(N)(C(=O)NCC2CCC2)C1.
What is the InChIKey of 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is HUJVPWNLROVOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-4-3-7-13(14,8-10)12(16)15-9-11-5-2-6-11/h10-11H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 64550637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).