3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine

C17H28N2 — CID 82090329

IUPAC3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(CN)CN2CCCC2)c1C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)15(4)17(14(12)3)16(10-18)11-19-7-5-6-8-19/h9,16H,5-8,10-11,18H2,1-4H3
InChIKeyNPJZDWJPGNLTRP-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.06
Rot. Bonds4

About 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine

3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine (PubChem CID 82090329) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
PubChem CID82090329
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(CN)CN2CCCC2)c1C
InChIInChI=1S/C17H28N2/c1-12-9-13(2)15(4)17(14(12)3)16(10-18)11-19-7-5-6-8-19/h9,16H,5-8,10-11,18H2,1-4H3
InChIKeyNPJZDWJPGNLTRP-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)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

Related Compounds

3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propanenitrile
CID 82089052
3-morpholin-4-yl-2-(2,4,6-trimethylphenyl)propan-1-amine
CID 82090983
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
2-piperazin-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 82302464
2-piperidin-1-yl-1-(2,4,5-trimethylphenyl)ethanamine
CID 82295585
2-piperidin-1-yl-2-(2,3,5,6-tetramethylphenyl)ethanol
CID 116860112
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643538
N-methyl-2-piperidin-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 15203039
3,5-dimethyl-4-(pyrrolidin-1-ylmethyl)phenol
CID 68619963
3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
2-(4-methylphenyl)-3-morpholin-4-ylpropan-1-amine
CID 82083200

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The IUPAC name of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine (CID 82090329) is 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine.
What is the SMILES notation for 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The canonical SMILES for 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine is Cc1cc(C)c(C)c(C(CN)CN2CCCC2)c1C.
What is the InChIKey of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The InChIKey is NPJZDWJPGNLTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-9-13(2)15(4)17(14(12)3)16(10-18)11-19-7-5-6-8-19/h9,16H,5-8,10-11,18H2,1-4H3.
What are the key properties of 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine?
3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-2-(2,3,5,6-tetramethylphenyl)propan-1-amine is sourced from PubChem (CID 82090329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).