3-[amino(propyl)amino]propan-1-ol

C6H16N2O — CID 23177929

IUPAC3-[amino(propyl)amino]propan-1-ol
SMILESCCCN(N)CCCO
InChIInChI=1S/C6H16N2O/c1-2-4-8(7)5-3-6-9/h9H,2-7H2,1H3
InChIKeyLGXNQOSMCVLGPB-UHFFFAOYSA-N
MW132.21 g/mol
LogP-0.05
Rot. Bonds5

About 3-[amino(propyl)amino]propan-1-ol

3-[amino(propyl)amino]propan-1-ol (PubChem CID 23177929) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 3-[amino(propyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[amino(propyl)amino]propan-1-ol
PubChem CID23177929
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name3-[amino(propyl)amino]propan-1-ol
SMILESCCCN(N)CCCO
InChIInChI=1S/C6H16N2O/c1-2-4-8(7)5-3-6-9/h9H,2-7H2,1H3
InChIKeyLGXNQOSMCVLGPB-UHFFFAOYSA-N
XLogP-0.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(propyl)amino]propan-1-ol?
The IUPAC name of 3-[amino(propyl)amino]propan-1-ol (CID 23177929) is 3-[amino(propyl)amino]propan-1-ol.
What is the SMILES notation for 3-[amino(propyl)amino]propan-1-ol?
The canonical SMILES for 3-[amino(propyl)amino]propan-1-ol is CCCN(N)CCCO.
What is the InChIKey of 3-[amino(propyl)amino]propan-1-ol?
The InChIKey is LGXNQOSMCVLGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-2-4-8(7)5-3-6-9/h9H,2-7H2,1H3.
What are the key properties of 3-[amino(propyl)amino]propan-1-ol?
3-[amino(propyl)amino]propan-1-ol has a molecular weight of 132.21 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(propyl)amino]propan-1-ol is sourced from PubChem (CID 23177929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).