N-(1-methyl-3-methylidenecyclopentyl)aniline

C13H17N — CID 138968955

IUPACN-(1-methyl-3-methylidenecyclopentyl)aniline
SMILESC=C1CCC(C)(Nc2ccccc2)C1
InChIInChI=1S/C13H17N/c1-11-8-9-13(2,10-11)14-12-6-4-3-5-7-12/h3-7,14H,1,8-10H2,2H3
InChIKeyDNEAAPSYGAVFQZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.60
Rot. Bonds2

About N-(1-methyl-3-methylidenecyclopentyl)aniline

N-(1-methyl-3-methylidenecyclopentyl)aniline (PubChem CID 138968955) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-(1-methyl-3-methylidenecyclopentyl)aniline.

Molecular Properties

Compound NameN-(1-methyl-3-methylidenecyclopentyl)aniline
PubChem CID138968955
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-(1-methyl-3-methylidenecyclopentyl)aniline
SMILESC=C1CCC(C)(Nc2ccccc2)C1
InChIInChI=1S/C13H17N/c1-11-8-9-13(2,10-11)14-12-6-4-3-5-7-12/h3-7,14H,1,8-10H2,2H3
InChIKeyDNEAAPSYGAVFQZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1-methyl-3-methylidenecyclopentyl)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-methyl-3-methylidenecyclopentyl)aniline?
The IUPAC name of N-(1-methyl-3-methylidenecyclopentyl)aniline (CID 138968955) is N-(1-methyl-3-methylidenecyclopentyl)aniline.
What is the SMILES notation for N-(1-methyl-3-methylidenecyclopentyl)aniline?
The canonical SMILES for N-(1-methyl-3-methylidenecyclopentyl)aniline is C=C1CCC(C)(Nc2ccccc2)C1.
What is the InChIKey of N-(1-methyl-3-methylidenecyclopentyl)aniline?
The InChIKey is DNEAAPSYGAVFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-8-9-13(2,10-11)14-12-6-4-3-5-7-12/h3-7,14H,1,8-10H2,2H3.
What are the key properties of N-(1-methyl-3-methylidenecyclopentyl)aniline?
N-(1-methyl-3-methylidenecyclopentyl)aniline has a molecular weight of 187.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-methylidenecyclopentyl)aniline is sourced from PubChem (CID 138968955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).