1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide

C15H22N2O — CID 80587408

IUPAC1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(CN)CCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)13(12(3)8-10)17-14(18)15(9-16)5-4-6-15/h7-8H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyCQHJXCDATFUGQU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.68
Rot. Bonds3

About 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide (PubChem CID 80587408) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
PubChem CID80587408
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(CN)CCC2)c(C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)13(12(3)8-10)17-14(18)15(9-16)5-4-6-15/h7-8H,4-6,9,16H2,1-3H3,(H,17,18)
InChIKeyCQHJXCDATFUGQU-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
CID 115183513
1-(aminomethyl)-N-(1,3,5-trimethylpyrazol-4-yl)cyclobutane-1-carboxamide
CID 115448440
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3,5-dichlorobenzoic acid
CID 82830276
5-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2,3-dimethylbenzoic acid
CID 115448528
3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-4-methylbenzoic acid
CID 115447773
1-(aminomethyl)-N-(3-fluoro-5-methylphenyl)cyclopropane-1-carboxamide
CID 115453477

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide (CID 80587408) is 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide is Cc1cc(C)c(NC(=O)C2(CN)CCC2)c(C)c1.
What is the InChIKey of 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide?
The InChIKey is CQHJXCDATFUGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(2)13(12(3)8-10)17-14(18)15(9-16)5-4-6-15/h7-8H,4-6,9,16H2,1-3H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).