N-butyl-N-(2-methylpentyl)aniline

C16H27N — CID 23123551

IUPACN-butyl-N-(2-methylpentyl)aniline
SMILESCCCCN(CC(C)CCC)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-6-13-17(14-15(3)10-5-2)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3
InChIKeyMJJDEORRWYUZJK-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.73
Rot. Bonds8

About N-butyl-N-(2-methylpentyl)aniline

N-butyl-N-(2-methylpentyl)aniline (PubChem CID 23123551) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-butyl-N-(2-methylpentyl)aniline.

Molecular Properties

Compound NameN-butyl-N-(2-methylpentyl)aniline
PubChem CID23123551
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-butyl-N-(2-methylpentyl)aniline
SMILESCCCCN(CC(C)CCC)c1ccccc1
InChIInChI=1S/C16H27N/c1-4-6-13-17(14-15(3)10-5-2)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3
InChIKeyMJJDEORRWYUZJK-UHFFFAOYSA-N
XLogP4.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butyl-N-(2-methylpentyl)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

4-[N-(2-methylpentyl)anilino]butanoic acid
CID 62265556
1-N-butyl-1-N-phenylpropane-1,2-diamine
CID 64584797
1-(N-butylanilino)butan-2-ol
CID 63102235
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
CID 65233155
N-(3-methylheptyl)-N-propylaniline
CID 67790396
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
N,N-dibutylaniline;perchloric acid
CID 71443116
N'-butyl-1-cyclopentyl-N'-phenylethane-1,2-diamine
CID 104746537

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-methylpentyl)aniline?
The IUPAC name of N-butyl-N-(2-methylpentyl)aniline (CID 23123551) is N-butyl-N-(2-methylpentyl)aniline.
What is the SMILES notation for N-butyl-N-(2-methylpentyl)aniline?
The canonical SMILES for N-butyl-N-(2-methylpentyl)aniline is CCCCN(CC(C)CCC)c1ccccc1.
What is the InChIKey of N-butyl-N-(2-methylpentyl)aniline?
The InChIKey is MJJDEORRWYUZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-6-13-17(14-15(3)10-5-2)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3.
What are the key properties of N-butyl-N-(2-methylpentyl)aniline?
N-butyl-N-(2-methylpentyl)aniline has a molecular weight of 233.40 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-methylpentyl)aniline is sourced from PubChem (CID 23123551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).