3,4-diiminohexane-2,5-diamine

C6H14N4 — CID 91176744

IUPAC3,4-diiminohexane-2,5-diamine
SMILES[H]/N=C(C(=N/[H])/C(C)N)\C(C)N
InChIInChI=1S/C6H14N4/c1-3(7)5(9)6(10)4(2)8/h3-4,9-10H,7-8H2,1-2H3/b9-5+,10-6+
InChIKeyGKFXIDDZKCVTDX-NXZHAISVSA-N
MW142.21 g/mol
LogP-0.28
Rot. Bonds3

About 3,4-diiminohexane-2,5-diamine

3,4-diiminohexane-2,5-diamine (PubChem CID 91176744) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 3,4-diiminohexane-2,5-diamine.

Molecular Properties

Compound Name3,4-diiminohexane-2,5-diamine
PubChem CID91176744
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name3,4-diiminohexane-2,5-diamine
SMILES[H]/N=C(C(=N/[H])/C(C)N)\C(C)N
InChIInChI=1S/C6H14N4/c1-3(7)5(9)6(10)4(2)8/h3-4,9-10H,7-8H2,1-2H3/b9-5+,10-6+
InChIKeyGKFXIDDZKCVTDX-NXZHAISVSA-N
XLogP-0.28
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-diiminohexane-2,5-diamine?
The IUPAC name of 3,4-diiminohexane-2,5-diamine (CID 91176744) is 3,4-diiminohexane-2,5-diamine.
What is the SMILES notation for 3,4-diiminohexane-2,5-diamine?
The canonical SMILES for 3,4-diiminohexane-2,5-diamine is [H]/N=C(C(=N/[H])/C(C)N)\C(C)N.
What is the InChIKey of 3,4-diiminohexane-2,5-diamine?
The InChIKey is GKFXIDDZKCVTDX-NXZHAISVSA-N. The full InChI is InChI=1S/C6H14N4/c1-3(7)5(9)6(10)4(2)8/h3-4,9-10H,7-8H2,1-2H3/b9-5+,10-6+.
What are the key properties of 3,4-diiminohexane-2,5-diamine?
3,4-diiminohexane-2,5-diamine has a molecular weight of 142.21 g/mol, XLogP of -0.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diiminohexane-2,5-diamine is sourced from PubChem (CID 91176744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).