4-butyl-N-(dicyclopropylmethyl)aniline

C17H25N — CID 43362849

IUPAC4-butyl-N-(dicyclopropylmethyl)aniline
SMILESCCCCc1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H25N/c1-2-3-4-13-5-11-16(12-6-13)18-17(14-7-8-14)15-9-10-15/h5-6,11-12,14-15,17-18H,2-4,7-10H2,1H3
InChIKeyIBHCLJZMUIZSPS-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.63
Rot. Bonds7

About 4-butyl-N-(dicyclopropylmethyl)aniline

4-butyl-N-(dicyclopropylmethyl)aniline (PubChem CID 43362849) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-butyl-N-(dicyclopropylmethyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(dicyclopropylmethyl)aniline
PubChem CID43362849
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name4-butyl-N-(dicyclopropylmethyl)aniline
SMILESCCCCc1ccc(NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C17H25N/c1-2-3-4-13-5-11-16(12-6-13)18-17(14-7-8-14)15-9-10-15/h5-6,11-12,14-15,17-18H,2-4,7-10H2,1H3
InChIKeyIBHCLJZMUIZSPS-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-butyl-N-(dicyclopropylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(dicyclopropylmethyl)aniline?
The IUPAC name of 4-butyl-N-(dicyclopropylmethyl)aniline (CID 43362849) is 4-butyl-N-(dicyclopropylmethyl)aniline.
What is the SMILES notation for 4-butyl-N-(dicyclopropylmethyl)aniline?
The canonical SMILES for 4-butyl-N-(dicyclopropylmethyl)aniline is CCCCc1ccc(NC(C2CC2)C2CC2)cc1.
What is the InChIKey of 4-butyl-N-(dicyclopropylmethyl)aniline?
The InChIKey is IBHCLJZMUIZSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-2-3-4-13-5-11-16(12-6-13)18-17(14-7-8-14)15-9-10-15/h5-6,11-12,14-15,17-18H,2-4,7-10H2,1H3.
What are the key properties of 4-butyl-N-(dicyclopropylmethyl)aniline?
4-butyl-N-(dicyclopropylmethyl)aniline has a molecular weight of 243.39 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(dicyclopropylmethyl)aniline is sourced from PubChem (CID 43362849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).