3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline

C16H27N3 — CID 105421343

IUPAC3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
SMILESCN(CCc1cccc(N)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H27N3/c1-18(2)16(9-5-10-16)13-19(3)11-8-14-6-4-7-15(17)12-14/h4,6-7,12H,5,8-11,13,17H2,1-3H3
InChIKeyGHAUFZIGYFRGFN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

About 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline

3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline (PubChem CID 105421343) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
PubChem CID105421343
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
SMILESCN(CCc1cccc(N)c1)CC1(N(C)C)CCC1
InChIInChI=1S/C16H27N3/c1-18(2)16(9-5-10-16)13-19(3)11-8-14-6-4-7-15(17)12-14/h4,6-7,12H,5,8-11,13,17H2,1-3H3
InChIKeyGHAUFZIGYFRGFN-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline 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

3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]aniline
CID 105413427
4-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline
CID 105413529
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312
3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
CID 65347606
3-(3-aminophenyl)-N-[[1-(dimethylamino)cyclopentyl]methyl]propanamide
CID 83108125
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(3-fluorophenyl)-N-methylethanamine
CID 115245973
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
CID 65348006
1-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246649

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
The IUPAC name of 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline (CID 105421343) is 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline.
What is the SMILES notation for 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
The canonical SMILES for 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline is CN(CCc1cccc(N)c1)CC1(N(C)C)CCC1.
What is the InChIKey of 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
The InChIKey is GHAUFZIGYFRGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-18(2)16(9-5-10-16)13-19(3)11-8-14-6-4-7-15(17)12-14/h4,6-7,12H,5,8-11,13,17H2,1-3H3.
What are the key properties of 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline?
3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]ethyl]aniline is sourced from PubChem (CID 105421343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).