2-(3-aminopropylamino)but-3-en-1-ol

C7H16N2O — CID 88784294

IUPAC2-(3-aminopropylamino)but-3-en-1-ol
SMILESC=CC(CO)NCCCN
InChIInChI=1S/C7H16N2O/c1-2-7(6-10)9-5-3-4-8/h2,7,9-10H,1,3-6,8H2
InChIKeyLZJOKALZWTVBFU-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.53
Rot. Bonds6

About 2-(3-aminopropylamino)but-3-en-1-ol

2-(3-aminopropylamino)but-3-en-1-ol (PubChem CID 88784294) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(3-aminopropylamino)but-3-en-1-ol.

Molecular Properties

Compound Name2-(3-aminopropylamino)but-3-en-1-ol
PubChem CID88784294
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-(3-aminopropylamino)but-3-en-1-ol
SMILESC=CC(CO)NCCCN
InChIInChI=1S/C7H16N2O/c1-2-7(6-10)9-5-3-4-8/h2,7,9-10H,1,3-6,8H2
InChIKeyLZJOKALZWTVBFU-UHFFFAOYSA-N
XLogP-0.53
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminopropylamino)but-3-en-1-ol 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 2-(3-aminopropylamino)but-3-en-1-ol?
The IUPAC name of 2-(3-aminopropylamino)but-3-en-1-ol (CID 88784294) is 2-(3-aminopropylamino)but-3-en-1-ol.
What is the SMILES notation for 2-(3-aminopropylamino)but-3-en-1-ol?
The canonical SMILES for 2-(3-aminopropylamino)but-3-en-1-ol is C=CC(CO)NCCCN.
What is the InChIKey of 2-(3-aminopropylamino)but-3-en-1-ol?
The InChIKey is LZJOKALZWTVBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-7(6-10)9-5-3-4-8/h2,7,9-10H,1,3-6,8H2.
What are the key properties of 2-(3-aminopropylamino)but-3-en-1-ol?
2-(3-aminopropylamino)but-3-en-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)but-3-en-1-ol is sourced from PubChem (CID 88784294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).