2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline

C19H30N2 — CID 106662123

IUPAC2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1CN1CCCC1
InChIInChI=1S/C19H30N2/c1-15-12-19(2,3)13-18(15)20-17-9-5-4-8-16(17)14-21-10-6-7-11-21/h4-5,8-9,15,18,20H,6-7,10-14H2,1-3H3
InChIKeyVQJOUFKIPFROIC-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.52
Rot. Bonds4

About 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline

2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662123) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662123
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccccc1CN1CCCC1
InChIInChI=1S/C19H30N2/c1-15-12-19(2,3)13-18(15)20-17-9-5-4-8-16(17)14-21-10-6-7-11-21/h4-5,8-9,15,18,20H,6-7,10-14H2,1-3H3
InChIKeyVQJOUFKIPFROIC-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline 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-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661600
2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662154
2,2-dimethyl-3-[2-(pyrrolidin-1-ylmethyl)anilino]cyclobutan-1-ol
CID 115972290
N-[2-(pyrrolidin-1-ylmethyl)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61308803
4,4-dimethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]thian-3-amine
CID 79954962
2-(difluoromethylsulfanyl)-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661548
4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
1-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,3-diamine
CID 79458660
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
1-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]methanesulfonamide
CID 63666626

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662123) is 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1ccccc1CN1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is VQJOUFKIPFROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-12-19(2,3)13-18(15)20-17-9-5-4-8-16(17)14-21-10-6-7-11-21/h4-5,8-9,15,18,20H,6-7,10-14H2,1-3H3.
What are the key properties of 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline?
2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 286.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylmethyl)-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).