3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline

C14H22N2 — CID 115212038

IUPAC3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
SMILESCN(CCC1CCC1)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2/c1-16(9-8-12-4-2-5-12)11-13-6-3-7-14(15)10-13/h3,6-7,10,12H,2,4-5,8-9,11,15H2,1H3
InChIKeySYGPBEHURVFFEU-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.89
Rot. Bonds5

About 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline

3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline (PubChem CID 115212038) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
PubChem CID115212038
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline
SMILESCN(CCC1CCC1)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2/c1-16(9-8-12-4-2-5-12)11-13-6-3-7-14(15)10-13/h3,6-7,10,12H,2,4-5,8-9,11,15H2,1H3
InChIKeySYGPBEHURVFFEU-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
3-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]aniline
CID 79304453
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509

Frequently Asked Questions

What is the IUPAC name of 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline?
The IUPAC name of 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline (CID 115212038) is 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline is CN(CCC1CCC1)Cc1cccc(N)c1.
What is the InChIKey of 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline?
The InChIKey is SYGPBEHURVFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(9-8-12-4-2-5-12)11-13-6-3-7-14(15)10-13/h3,6-7,10,12H,2,4-5,8-9,11,15H2,1H3.
What are the key properties of 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline?
3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-cyclobutylethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 115212038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).