1-N'-(1-aminopropyl)propane-1,1-diamine

C6H17N3 — CID 22497403

IUPAC1-N'-(1-aminopropyl)propane-1,1-diamine
SMILESCCC(N)NC(N)CC
InChIInChI=1S/C6H17N3/c1-3-5(7)9-6(8)4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyYIWOVBQFFKZFNY-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.03
Rot. Bonds4

About 1-N'-(1-aminopropyl)propane-1,1-diamine

1-N'-(1-aminopropyl)propane-1,1-diamine (PubChem CID 22497403) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-N'-(1-aminopropyl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(1-aminopropyl)propane-1,1-diamine
PubChem CID22497403
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name1-N'-(1-aminopropyl)propane-1,1-diamine
SMILESCCC(N)NC(N)CC
InChIInChI=1S/C6H17N3/c1-3-5(7)9-6(8)4-2/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyYIWOVBQFFKZFNY-UHFFFAOYSA-N
XLogP-0.03
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-(1-aminopropyl)propane-1,1-diamine?
The IUPAC name of 1-N'-(1-aminopropyl)propane-1,1-diamine (CID 22497403) is 1-N'-(1-aminopropyl)propane-1,1-diamine.
What is the SMILES notation for 1-N'-(1-aminopropyl)propane-1,1-diamine?
The canonical SMILES for 1-N'-(1-aminopropyl)propane-1,1-diamine is CCC(N)NC(N)CC.
What is the InChIKey of 1-N'-(1-aminopropyl)propane-1,1-diamine?
The InChIKey is YIWOVBQFFKZFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-3-5(7)9-6(8)4-2/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1-N'-(1-aminopropyl)propane-1,1-diamine?
1-N'-(1-aminopropyl)propane-1,1-diamine has a molecular weight of 131.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(1-aminopropyl)propane-1,1-diamine is sourced from PubChem (CID 22497403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).