N-butyl-N-(pyrrolidin-2-ylmethyl)aniline

C15H24N2 — CID 64585394

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCCCCN(CC1CCCN1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-2-3-12-17(13-14-8-7-11-16-14)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3
InChIKeyVTHVLDBRCSFJDF-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.05
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)aniline

N-butyl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 64585394) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID64585394
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCCCCN(CC1CCCN1)c1ccccc1
InChIInChI=1S/C15H24N2/c1-2-3-12-17(13-14-8-7-11-16-14)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3
InChIKeyVTHVLDBRCSFJDF-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butyl-N-(pyrrolidin-2-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

N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
N-butyl-N-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106620257
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
N-butyl-N-(piperidin-3-ylmethyl)aniline
CID 64585199
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
N-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 69019447
N-butyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106609175
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
N-butyl-N-phenyl-2-piperidin-2-ylacetamide
CID 64584615
N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620441
N-[(2-aminocyclohexyl)methyl]-N-butylaniline
CID 64584073
N-butyl-4,6-dimethoxy-N-(pyrrolidin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 106620394

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)aniline (CID 64585394) is N-butyl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)aniline is CCCCN(CC1CCCN1)c1ccccc1.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is VTHVLDBRCSFJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-12-17(13-14-8-7-11-16-14)15-9-5-4-6-10-15/h4-6,9-10,14,16H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)aniline?
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 64585394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).