1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide

C15H22N2O — CID 115183513

IUPAC1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(CN)CCC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-4-5-13(8-12(11)2)9-17-14(18)15(10-16)6-3-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyOLKHSXMQLVMDIR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.05
Rot. Bonds4

About 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115183513) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115183513
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(CN)CCC2)cc1C
InChIInChI=1S/C15H22N2O/c1-11-4-5-13(8-12(11)2)9-17-14(18)15(10-16)6-3-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3,(H,17,18)
InChIKeyOLKHSXMQLVMDIR-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
3-[[[1-(aminomethyl)cyclobutanecarbonyl]amino]methyl]benzoic acid
CID 115448296
1-(aminomethyl)-N-[(3-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705750
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
1-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 80587959
1-(aminomethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182752
1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 80587408
1-(aminomethyl)-N-(thiophen-3-ylmethyl)cyclopentane-1-carboxamide
CID 81489545
1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
CID 106390779
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80587002
1-(aminomethyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 80588402

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide (CID 115183513) is 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide is Cc1ccc(CNC(=O)C2(CN)CCC2)cc1C.
What is the InChIKey of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is OLKHSXMQLVMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-5-13(8-12(11)2)9-17-14(18)15(10-16)6-3-7-15/h4-5,8H,3,6-7,9-10,16H2,1-2H3,(H,17,18).
What are the key properties of 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115183513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).