1-[amino(propyl)amino]propane-1,1-diamine

C6H18N4 — CID 87824780

IUPAC1-[amino(propyl)amino]propane-1,1-diamine
SMILESCCCN(N)C(N)(N)CC
InChIInChI=1S/C6H18N4/c1-3-5-10(9)6(7,8)4-2/h3-5,7-9H2,1-2H3
InChIKeyPEWPQQKJKFLRCF-UHFFFAOYSA-N
MW146.24 g/mol
LogP-0.45
Rot. Bonds4

About 1-[amino(propyl)amino]propane-1,1-diamine

1-[amino(propyl)amino]propane-1,1-diamine (PubChem CID 87824780) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is 1-[amino(propyl)amino]propane-1,1-diamine.

Molecular Properties

Compound Name1-[amino(propyl)amino]propane-1,1-diamine
PubChem CID87824780
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Name1-[amino(propyl)amino]propane-1,1-diamine
SMILESCCCN(N)C(N)(N)CC
InChIInChI=1S/C6H18N4/c1-3-5-10(9)6(7,8)4-2/h3-5,7-9H2,1-2H3
InChIKeyPEWPQQKJKFLRCF-UHFFFAOYSA-N
XLogP-0.45
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 1-[amino(propyl)amino]propane-1,1-diamine?
The IUPAC name of 1-[amino(propyl)amino]propane-1,1-diamine (CID 87824780) is 1-[amino(propyl)amino]propane-1,1-diamine.
What is the SMILES notation for 1-[amino(propyl)amino]propane-1,1-diamine?
The canonical SMILES for 1-[amino(propyl)amino]propane-1,1-diamine is CCCN(N)C(N)(N)CC.
What is the InChIKey of 1-[amino(propyl)amino]propane-1,1-diamine?
The InChIKey is PEWPQQKJKFLRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-3-5-10(9)6(7,8)4-2/h3-5,7-9H2,1-2H3.
What are the key properties of 1-[amino(propyl)amino]propane-1,1-diamine?
1-[amino(propyl)amino]propane-1,1-diamine has a molecular weight of 146.24 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(propyl)amino]propane-1,1-diamine is sourced from PubChem (CID 87824780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).