3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine

C14H18N2 — CID 107423580

IUPAC3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine
SMILESCC1(NCC#Cc2ccccc2)CCNC1
InChIInChI=1S/C14H18N2/c1-14(9-11-15-12-14)16-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,15-16H,9-12H2,1H3
InChIKeySKZULHBZNXPORD-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.38
Rot. Bonds2

About 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine

3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine (PubChem CID 107423580) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine
PubChem CID107423580
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine
SMILESCC1(NCC#Cc2ccccc2)CCNC1
InChIInChI=1S/C14H18N2/c1-14(9-11-15-12-14)16-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,15-16H,9-12H2,1H3
InChIKeySKZULHBZNXPORD-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-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-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine?
The IUPAC name of 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine (CID 107423580) is 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine?
The canonical SMILES for 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine is CC1(NCC#Cc2ccccc2)CCNC1.
What is the InChIKey of 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine?
The InChIKey is SKZULHBZNXPORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(9-11-15-12-14)16-10-5-8-13-6-3-2-4-7-13/h2-4,6-7,15-16H,9-12H2,1H3.
What are the key properties of 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine?
3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine has a molecular weight of 214.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine is sourced from PubChem (CID 107423580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).