1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide

C15H28N2O — CID 114094852

IUPAC1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC2(C)CCCCC2)C1
InChIInChI=1S/C15H28N2O/c1-12-8-15(9-12,10-16)13(18)17-11-14(2)6-4-3-5-7-14/h12H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyQDJZFKNJZATRDY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.45
Rot. Bonds4

About 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide (PubChem CID 114094852) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
PubChem CID114094852
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
SMILESCC1CC(CN)(C(=O)NCC2(C)CCCCC2)C1
InChIInChI=1S/C15H28N2O/c1-12-8-15(9-12,10-16)13(18)17-11-14(2)6-4-3-5-7-14/h12H,3-11,16H2,1-2H3,(H,17,18)
InChIKeyQDJZFKNJZATRDY-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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-[(3-methyloxetan-3-yl)methyl]cyclohexane-1-carboxamide
CID 113309913
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
CID 80598201
1-(aminomethyl)-N-(2,3-dimethylbutyl)-3-methylcyclobutane-1-carboxamide
CID 80598078
1-(aminomethyl)-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80587838
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
1-(aminomethyl)-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 107221086
1-amino-3-ethoxy-2,2-dimethyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide
CID 105056190
1-carbamothioyl-N-[(1-methylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 114107998
1-(aminomethyl)-3-methyl-N-(2,2,3-trimethylbutyl)cyclobutane-1-carboxamide
CID 114099712
1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
CID 80598794
1-(aminomethyl)-N-[2-(dimethylamino)-2-methylpropyl]-3-methylcyclobutane-1-carboxamide
CID 80588679
1-(aminomethyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cycloheptane-1-carboxamide
CID 103966787

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide (CID 114094852) is 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide is CC1CC(CN)(C(=O)NCC2(C)CCCCC2)C1.
What is the InChIKey of 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is QDJZFKNJZATRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-8-15(9-12,10-16)13(18)17-11-14(2)6-4-3-5-7-14/h12H,3-11,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-methyl-N-[(1-methylcyclohexyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 114094852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).