N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline

C15H24N2 — CID 62259755

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)CC2(CN)CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)17(2)12-15(11-16)9-3-4-10-15/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyRGCCELKFDXCSIH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline

N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline (PubChem CID 62259755) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
PubChem CID62259755
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)CC2(CN)CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)17(2)12-15(11-16)9-3-4-10-15/h5-8H,3-4,9-12,16H2,1-2H3
InChIKeyRGCCELKFDXCSIH-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline 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-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline (CID 62259755) is N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline is Cc1ccc(N(C)CC2(CN)CCCC2)cc1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline?
The InChIKey is RGCCELKFDXCSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-7-14(8-6-13)17(2)12-15(11-16)9-3-4-10-15/h5-8H,3-4,9-12,16H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline?
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline is sourced from PubChem (CID 62259755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).