1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine

C13H19N — CID 43298526

IUPAC1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C13H19N/c1-11-5-7-13(8-6-11)10-14-9-12-3-2-4-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyINCSGAMXVGSGOI-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine

1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine (PubChem CID 43298526) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
PubChem CID43298526
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
SMILESCc1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C13H19N/c1-11-5-7-13(8-6-11)10-14-9-12-3-2-4-12/h5-8,12,14H,2-4,9-10H2,1H3
InChIKeyINCSGAMXVGSGOI-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
CID 97034738
1-(2-methylcyclopentyl)-N-[(4-methylphenyl)methyl]methanamine
CID 107416782
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine (CID 43298526) is 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine is Cc1ccc(CNCC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine?
The InChIKey is INCSGAMXVGSGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-5-7-13(8-6-11)10-14-9-12-3-2-4-12/h5-8,12,14H,2-4,9-10H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine?
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine is sourced from PubChem (CID 43298526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).