N-(1-cyclopropyl-2-methylpropyl)aniline

C13H19N — CID 115729363

IUPACN-(1-cyclopropyl-2-methylpropyl)aniline
SMILESCC(C)C(Nc1ccccc1)C1CC1
InChIInChI=1S/C13H19N/c1-10(2)13(11-8-9-11)14-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKeyVUIJCHRIUHPJTF-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.53
Rot. Bonds4

About N-(1-cyclopropyl-2-methylpropyl)aniline

N-(1-cyclopropyl-2-methylpropyl)aniline (PubChem CID 115729363) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methylpropyl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methylpropyl)aniline
PubChem CID115729363
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(1-cyclopropyl-2-methylpropyl)aniline
SMILESCC(C)C(Nc1ccccc1)C1CC1
InChIInChI=1S/C13H19N/c1-10(2)13(11-8-9-11)14-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKeyVUIJCHRIUHPJTF-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclopropyl-2-methylpropyl)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 N-(1-cyclopropyl-2-methylpropyl)aniline?
The IUPAC name of N-(1-cyclopropyl-2-methylpropyl)aniline (CID 115729363) is N-(1-cyclopropyl-2-methylpropyl)aniline.
What is the SMILES notation for N-(1-cyclopropyl-2-methylpropyl)aniline?
The canonical SMILES for N-(1-cyclopropyl-2-methylpropyl)aniline is CC(C)C(Nc1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methylpropyl)aniline?
The InChIKey is VUIJCHRIUHPJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)13(11-8-9-11)14-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methylpropyl)aniline?
N-(1-cyclopropyl-2-methylpropyl)aniline has a molecular weight of 189.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methylpropyl)aniline is sourced from PubChem (CID 115729363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).