2-(aminomethyl)-N,N-dibutyl-5-methylaniline

C16H28N2 — CID 55057054

IUPAC2-(aminomethyl)-N,N-dibutyl-5-methylaniline
SMILESCCCCN(CCCC)c1cc(C)ccc1CN
InChIInChI=1S/C16H28N2/c1-4-6-10-18(11-7-5-2)16-12-14(3)8-9-15(16)13-17/h8-9,12H,4-7,10-11,13,17H2,1-3H3
InChIKeyZLFHIFWVDWNDCL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.86
Rot. Bonds8

About 2-(aminomethyl)-N,N-dibutyl-5-methylaniline

2-(aminomethyl)-N,N-dibutyl-5-methylaniline (PubChem CID 55057054) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dibutyl-5-methylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dibutyl-5-methylaniline
PubChem CID55057054
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-(aminomethyl)-N,N-dibutyl-5-methylaniline
SMILESCCCCN(CCCC)c1cc(C)ccc1CN
InChIInChI=1S/C16H28N2/c1-4-6-10-18(11-7-5-2)16-12-14(3)8-9-15(16)13-17/h8-9,12H,4-7,10-11,13,17H2,1-3H3
InChIKeyZLFHIFWVDWNDCL-UHFFFAOYSA-N
XLogP3.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N,N-dibutyl-5-methylaniline 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'-[2-(aminomethyl)-5-methylphenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55057011
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115
2-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-(2-methylpropyl)aniline
CID 62308997
N'-[2-(aminomethyl)-4-methylphenyl]-N,N,N'-triethylpropane-1,3-diamine
CID 107926377
5-(aminomethyl)-N-butyl-N-ethyl-2-methylpyridin-4-amine
CID 81248348
2-[2-(aminomethyl)-5-methyl-N-pentan-3-ylanilino]ethanol
CID 62307448
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-methylaniline
CID 62307923
2,5-dimethyl-N,N-dipropylaniline
CID 13113808
N,N-dibutyl-5-chloro-2-(methylaminomethyl)aniline
CID 114847834
2-(aminomethyl)-N-(4-ethylphenyl)-N,5-dimethylaniline
CID 62306578
2-(aminomethyl)-5-bromo-N-ethyl-N-propylaniline
CID 43268985

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dibutyl-5-methylaniline?
The IUPAC name of 2-(aminomethyl)-N,N-dibutyl-5-methylaniline (CID 55057054) is 2-(aminomethyl)-N,N-dibutyl-5-methylaniline.
What is the SMILES notation for 2-(aminomethyl)-N,N-dibutyl-5-methylaniline?
The canonical SMILES for 2-(aminomethyl)-N,N-dibutyl-5-methylaniline is CCCCN(CCCC)c1cc(C)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-N,N-dibutyl-5-methylaniline?
The InChIKey is ZLFHIFWVDWNDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-10-18(11-7-5-2)16-12-14(3)8-9-15(16)13-17/h8-9,12H,4-7,10-11,13,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N,N-dibutyl-5-methylaniline?
2-(aminomethyl)-N,N-dibutyl-5-methylaniline has a molecular weight of 248.41 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dibutyl-5-methylaniline is sourced from PubChem (CID 55057054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).