N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline

C17H28N2 — CID 62136544

IUPACN-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
SMILESCCNCc1ccc(N(CC)C2CCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-4-18-13-15-10-11-17(12-14(15)3)19(5-2)16-8-6-7-9-16/h10-12,16,18H,4-9,13H2,1-3H3
InChIKeyVUMOXJOUCZQCMX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.87
Rot. Bonds6

About N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline

N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline (PubChem CID 62136544) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
PubChem CID62136544
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
SMILESCCNCc1ccc(N(CC)C2CCCC2)cc1C
InChIInChI=1S/C17H28N2/c1-4-18-13-15-10-11-17(12-14(15)3)19(5-2)16-8-6-7-9-16/h10-12,16,18H,4-9,13H2,1-3H3
InChIKeyVUMOXJOUCZQCMX-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline 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-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
The IUPAC name of N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline (CID 62136544) is N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline is CCNCc1ccc(N(CC)C2CCCC2)cc1C.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
The InChIKey is VUMOXJOUCZQCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-13-15-10-11-17(12-14(15)3)19(5-2)16-8-6-7-9-16/h10-12,16,18H,4-9,13H2,1-3H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline?
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline is sourced from PubChem (CID 62136544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).