4-butyl-N-(pyridin-3-ylmethyl)aniline

C16H20N2 — CID 28675603

IUPAC4-butyl-N-(pyridin-3-ylmethyl)aniline
SMILESCCCCc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C16H20N2/c1-2-3-5-14-7-9-16(10-8-14)18-13-15-6-4-11-17-12-15/h4,6-12,18H,2-3,5,13H2,1H3
InChIKeyJUSFVRFBZXMQAD-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.04
Rot. Bonds6

About 4-butyl-N-(pyridin-3-ylmethyl)aniline

4-butyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 28675603) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-butyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID28675603
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-butyl-N-(pyridin-3-ylmethyl)aniline
SMILESCCCCc1ccc(NCc2cccnc2)cc1
InChIInChI=1S/C16H20N2/c1-2-3-5-14-7-9-16(10-8-14)18-13-15-6-4-11-17-12-15/h4,6-12,18H,2-3,5,13H2,1H3
InChIKeyJUSFVRFBZXMQAD-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butyl-N-(pyridin-3-ylmethyl)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-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
4-butyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880730
4-(methoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 83961082
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
1-(4-butylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 173272882
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
CID 59230081
4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 112721039
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 62893497

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 4-butyl-N-(pyridin-3-ylmethyl)aniline (CID 28675603) is 4-butyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 4-butyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 4-butyl-N-(pyridin-3-ylmethyl)aniline is CCCCc1ccc(NCc2cccnc2)cc1.
What is the InChIKey of 4-butyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is JUSFVRFBZXMQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-3-5-14-7-9-16(10-8-14)18-13-15-6-4-11-17-12-15/h4,6-12,18H,2-3,5,13H2,1H3.
What are the key properties of 4-butyl-N-(pyridin-3-ylmethyl)aniline?
4-butyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 240.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 28675603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).