N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline

C17H26N2 — CID 62071393

IUPACN-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NCC1CCCC1
InChIInChI=1S/C17H26N2/c1-14-12-16(19-10-4-5-11-19)8-9-17(14)18-13-15-6-2-3-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3
InChIKeyDNYNDISBRHAYBC-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.20
Rot. Bonds4

About N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline

N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 62071393) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
PubChem CID62071393
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NCC1CCCC1
InChIInChI=1S/C17H26N2/c1-14-12-16(19-10-4-5-11-19)8-9-17(14)18-13-15-6-2-3-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3
InChIKeyDNYNDISBRHAYBC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 115916530
2-methyl-N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43682373
1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80559606
N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 43682374
N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]cyclohexanecarboxamide
CID 4787565
2-methyl-4-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696611
N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 64734134
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62748402
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 115688003

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline (CID 62071393) is N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline is Cc1cc(N2CCCC2)ccc1NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is DNYNDISBRHAYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-12-16(19-10-4-5-11-19)8-9-17(14)18-13-15-6-2-3-7-15/h8-9,12,15,18H,2-7,10-11,13H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline?
N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 258.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 62071393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).