3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine

C12H27N3O — CID 19821427

IUPAC3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine
SMILESCC1CC(CCCN)N(O)C1(C)CCCN
InChIInChI=1S/C12H27N3O/c1-10-9-11(5-3-7-13)15(16)12(10,2)6-4-8-14/h10-11,16H,3-9,13-14H2,1-2H3
InChIKeyKNSFFAWWWIYMKD-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.32
Rot. Bonds6

About 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine

3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine (PubChem CID 19821427) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine
PubChem CID19821427
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine
SMILESCC1CC(CCCN)N(O)C1(C)CCCN
InChIInChI=1S/C12H27N3O/c1-10-9-11(5-3-7-13)15(16)12(10,2)6-4-8-14/h10-11,16H,3-9,13-14H2,1-2H3
InChIKeyKNSFFAWWWIYMKD-UHFFFAOYSA-N
XLogP1.32
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]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-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine (CID 19821427) is 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine is CC1CC(CCCN)N(O)C1(C)CCCN.
What is the InChIKey of 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine?
The InChIKey is KNSFFAWWWIYMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10-9-11(5-3-7-13)15(16)12(10,2)6-4-8-14/h10-11,16H,3-9,13-14H2,1-2H3.
What are the key properties of 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine?
3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine has a molecular weight of 229.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-aminopropyl)-1-hydroxy-4,5-dimethylpyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 19821427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).