3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

C18H30N2 — CID 63218029

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CCCC1(C)C)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-5-19-17(16-10-7-6-9-15(16)2)11-14-20-13-8-12-18(20,3)4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyKMWNDCAIXNGULG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.91
Rot. Bonds6

About 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine

3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (PubChem CID 63218029) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
PubChem CID63218029
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine
SMILESCCNC(CCN1CCCC1(C)C)c1ccccc1C
InChIInChI=1S/C18H30N2/c1-5-19-17(16-10-7-6-9-15(16)2)11-14-20-13-8-12-18(20,3)4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3
InChIKeyKMWNDCAIXNGULG-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine 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 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine (CID 63218029) is 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is CCNC(CCN1CCCC1(C)C)c1ccccc1C.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
The InChIKey is KMWNDCAIXNGULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-19-17(16-10-7-6-9-15(16)2)11-14-20-13-8-12-18(20,3)4/h6-7,9-10,17,19H,5,8,11-14H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine?
3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)-N-ethyl-1-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 63218029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).