4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline

C15H24N2 — CID 115690285

IUPAC4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC2CCC2)cc1
InChIInChI=1S/C15H24N2/c1-17(2)15-8-6-14(7-9-15)12-16-11-10-13-4-3-5-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyQTFRUHGDQMGMLE-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.03
Rot. Bonds6

About 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline

4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline (PubChem CID 115690285) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
PubChem CID115690285
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(CNCCC2CCC2)cc1
InChIInChI=1S/C15H24N2/c1-17(2)15-8-6-14(7-9-15)12-16-11-10-13-4-3-5-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyQTFRUHGDQMGMLE-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
CID 63448419
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
2-cyclobutyl-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 115690242
N,N-dimethyl-4-[(4,4,4-trifluorobutylamino)methyl]aniline
CID 79039488
N,N-dimethyl-4-[(pentylamino)methyl]aniline;hydrochloride
CID 17290940
N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline (CID 115690285) is 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline is CN(C)c1ccc(CNCCC2CCC2)cc1.
What is the InChIKey of 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline?
The InChIKey is QTFRUHGDQMGMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17(2)15-8-6-14(7-9-15)12-16-11-10-13-4-3-5-13/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline?
4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 115690285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).