1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine

C6H20N6 — CID 57263378

IUPAC1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine
SMILESCC(N)CN(NCN)NCCN
InChIInChI=1S/C6H20N6/c1-6(9)4-12(11-5-8)10-3-2-7/h6,10-11H,2-5,7-9H2,1H3
InChIKeyIBTAUXQAKYMSIC-UHFFFAOYSA-N
MW176.27 g/mol
LogP-2.48
Rot. Bonds7

About 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine

1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine (PubChem CID 57263378) has the molecular formula C6H20N6 and a molecular weight of 176.27 g/mol. Its IUPAC name is 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine
PubChem CID57263378
Molecular FormulaC6H20N6
Molecular Weight176.27 g/mol
Exact Mass176.17
IUPAC Name1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine
SMILESCC(N)CN(NCN)NCCN
InChIInChI=1S/C6H20N6/c1-6(9)4-12(11-5-8)10-3-2-7/h6,10-11H,2-5,7-9H2,1H3
InChIKeyIBTAUXQAKYMSIC-UHFFFAOYSA-N
XLogP-2.48
TPSA105.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine (CID 57263378) is 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine is CC(N)CN(NCN)NCCN.
What is the InChIKey of 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine?
The InChIKey is IBTAUXQAKYMSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H20N6/c1-6(9)4-12(11-5-8)10-3-2-7/h6,10-11H,2-5,7-9H2,1H3.
What are the key properties of 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine?
1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine has a molecular weight of 176.27 g/mol, XLogP of -2.48, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethylamino)-1-N-(aminomethylamino)propane-1,2-diamine is sourced from PubChem (CID 57263378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).