3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine

C12H21N3 — CID 114416226

IUPAC3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
SMILESC#CC(C)NC1(CN)CCN(C2CC2)C1
InChIInChI=1S/C12H21N3/c1-3-10(2)14-12(8-13)6-7-15(9-12)11-4-5-11/h1,10-11,14H,4-9,13H2,2H3
InChIKeyGXRNANBMZOEUNN-UHFFFAOYSA-N
MW207.32 g/mol
LogP0.16
Rot. Bonds4

About 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine

3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine (PubChem CID 114416226) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
PubChem CID114416226
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine
SMILESC#CC(C)NC1(CN)CCN(C2CC2)C1
InChIInChI=1S/C12H21N3/c1-3-10(2)14-12(8-13)6-7-15(9-12)11-4-5-11/h1,10-11,14H,4-9,13H2,2H3
InChIKeyGXRNANBMZOEUNN-UHFFFAOYSA-N
XLogP0.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-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-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine (CID 114416226) is 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine is C#CC(C)NC1(CN)CCN(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is GXRNANBMZOEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-10(2)14-12(8-13)6-7-15(9-12)11-4-5-11/h1,10-11,14H,4-9,13H2,2H3.
What are the key properties of 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine?
3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-but-3-yn-2-yl-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 114416226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).