3-pyrrolidin-3-ylprop-2-yn-1-amine

C7H12N2 — CID 117265022

IUPAC3-pyrrolidin-3-ylprop-2-yn-1-amine
SMILESNCC#CC1CCNC1
InChIInChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h7,9H,3-6,8H2
InChIKeyHKWLZZPBTUFOCH-UHFFFAOYSA-N
MW124.19 g/mol
LogP-0.44
Rot. Bonds

About 3-pyrrolidin-3-ylprop-2-yn-1-amine

3-pyrrolidin-3-ylprop-2-yn-1-amine (PubChem CID 117265022) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-pyrrolidin-3-ylprop-2-yn-1-amine.

Molecular Properties

Compound Name3-pyrrolidin-3-ylprop-2-yn-1-amine
PubChem CID117265022
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-pyrrolidin-3-ylprop-2-yn-1-amine
SMILESNCC#CC1CCNC1
InChIInChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h7,9H,3-6,8H2
InChIKeyHKWLZZPBTUFOCH-UHFFFAOYSA-N
XLogP-0.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-pyrrolidin-3-ylprop-2-yn-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-piperidin-4-ylprop-2-yn-1-ol;hydrochloride
CID 121207000
4-piperidin-3-ylbut-2-yn-1-amine
CID 117265146
1-(3-piperidin-3-ylprop-2-ynyl)piperazine
CID 117269532
4-(3-piperidin-3-ylprop-2-ynyl)aniline
CID 54247628
N,N-dimethyl-3-piperidin-4-ylprop-2-yn-1-amine
CID 121206999
[3-(aminomethyl)piperidin-4-yl]methanamine
CID 21186518
4-amino-3,3-dimethyl-2-pyrrolidin-3-ylbutan-2-ol
CID 127016501
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
3-piperidin-3-ylprop-2-ynal
CID 117265475
2,2-difluoro-2-piperidin-4-ylethanamine
CID 105432407
[3-(2,2-dimethylpropyl)piperidin-4-yl]methanamine
CID 82602052
3-(3-methylbut-1-ynyl)piperidine
CID 118967292

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-ylprop-2-yn-1-amine?
The IUPAC name of 3-pyrrolidin-3-ylprop-2-yn-1-amine (CID 117265022) is 3-pyrrolidin-3-ylprop-2-yn-1-amine.
What is the SMILES notation for 3-pyrrolidin-3-ylprop-2-yn-1-amine?
The canonical SMILES for 3-pyrrolidin-3-ylprop-2-yn-1-amine is NCC#CC1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-ylprop-2-yn-1-amine?
The InChIKey is HKWLZZPBTUFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c8-4-1-2-7-3-5-9-6-7/h7,9H,3-6,8H2.
What are the key properties of 3-pyrrolidin-3-ylprop-2-yn-1-amine?
3-pyrrolidin-3-ylprop-2-yn-1-amine has a molecular weight of 124.19 g/mol, XLogP of -0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-ylprop-2-yn-1-amine is sourced from PubChem (CID 117265022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).