2-N-(2-aminopropyl)propane-1,2-diamine

C6H17N3 — CID 3016427

IUPAC2-N-(2-aminopropyl)propane-1,2-diamine
SMILESCC(N)CNC(C)CN
InChIInChI=1S/C6H17N3/c1-5(8)4-9-6(2)3-7/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZWSGQNNHVMWSFL-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.73
Rot. Bonds4

About 2-N-(2-aminopropyl)propane-1,2-diamine

2-N-(2-aminopropyl)propane-1,2-diamine (PubChem CID 3016427) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-N-(2-aminopropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-aminopropyl)propane-1,2-diamine
PubChem CID3016427
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name2-N-(2-aminopropyl)propane-1,2-diamine
SMILESCC(N)CNC(C)CN
InChIInChI=1S/C6H17N3/c1-5(8)4-9-6(2)3-7/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZWSGQNNHVMWSFL-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminopropyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2-aminopropyl)propane-1,2-diamine (CID 3016427) is 2-N-(2-aminopropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2-aminopropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2-aminopropyl)propane-1,2-diamine is CC(N)CNC(C)CN.
What is the InChIKey of 2-N-(2-aminopropyl)propane-1,2-diamine?
The InChIKey is ZWSGQNNHVMWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-5(8)4-9-6(2)3-7/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 2-N-(2-aminopropyl)propane-1,2-diamine?
2-N-(2-aminopropyl)propane-1,2-diamine has a molecular weight of 131.22 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminopropyl)propane-1,2-diamine is sourced from PubChem (CID 3016427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).