N-[(3,5-dimethylphenyl)methyl]cyclobutanamine

C13H19N — CID 62414754

IUPACN-[(3,5-dimethylphenyl)methyl]cyclobutanamine
SMILESCc1cc(C)cc(CNC2CCC2)c1
InChIInChI=1S/C13H19N/c1-10-6-11(2)8-12(7-10)9-14-13-4-3-5-13/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyJOGAYLFGHPTXFW-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.95
Rot. Bonds3

About N-[(3,5-dimethylphenyl)methyl]cyclobutanamine

N-[(3,5-dimethylphenyl)methyl]cyclobutanamine (PubChem CID 62414754) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]cyclobutanamine
PubChem CID62414754
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[(3,5-dimethylphenyl)methyl]cyclobutanamine
SMILESCc1cc(C)cc(CNC2CCC2)c1
InChIInChI=1S/C13H19N/c1-10-6-11(2)8-12(7-10)9-14-13-4-3-5-13/h6-8,13-14H,3-5,9H2,1-2H3
InChIKeyJOGAYLFGHPTXFW-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,5-dimethylphenyl)methyl]cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethylphenyl)methyl]cyclohexanamine
CID 60683536
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[[4-(3,5-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43283085
N-[(3,5-dimethylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 55200279
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]cyclopropanamine
CID 43276817
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]cyclobutanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]cyclobutanamine (CID 62414754) is N-[(3,5-dimethylphenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]cyclobutanamine is Cc1cc(C)cc(CNC2CCC2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]cyclobutanamine?
The InChIKey is JOGAYLFGHPTXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-6-11(2)8-12(7-10)9-14-13-4-3-5-13/h6-8,13-14H,3-5,9H2,1-2H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]cyclobutanamine?
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine has a molecular weight of 189.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]cyclobutanamine is sourced from PubChem (CID 62414754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).