5-imino-1-N-methylhexane-1,4-diamine

C7H17N3 — CID 58592142

IUPAC5-imino-1-N-methylhexane-1,4-diamine
SMILES[H]/N=C(\C)C(N)CCCNC
InChIInChI=1S/C7H17N3/c1-6(8)7(9)4-3-5-10-2/h7-8,10H,3-5,9H2,1-2H3/b8-6+
InChIKeyGDWLMXOLKUUPCD-SOFGYWHQSA-N
MW143.23 g/mol
LogP0.35
Rot. Bonds5

About 5-imino-1-N-methylhexane-1,4-diamine

5-imino-1-N-methylhexane-1,4-diamine (PubChem CID 58592142) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 5-imino-1-N-methylhexane-1,4-diamine.

Molecular Properties

Compound Name5-imino-1-N-methylhexane-1,4-diamine
PubChem CID58592142
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name5-imino-1-N-methylhexane-1,4-diamine
SMILES[H]/N=C(\C)C(N)CCCNC
InChIInChI=1S/C7H17N3/c1-6(8)7(9)4-3-5-10-2/h7-8,10H,3-5,9H2,1-2H3/b8-6+
InChIKeyGDWLMXOLKUUPCD-SOFGYWHQSA-N
XLogP0.35
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-imino-1-N-methylhexane-1,4-diamine?
The IUPAC name of 5-imino-1-N-methylhexane-1,4-diamine (CID 58592142) is 5-imino-1-N-methylhexane-1,4-diamine.
What is the SMILES notation for 5-imino-1-N-methylhexane-1,4-diamine?
The canonical SMILES for 5-imino-1-N-methylhexane-1,4-diamine is [H]/N=C(\C)C(N)CCCNC.
What is the InChIKey of 5-imino-1-N-methylhexane-1,4-diamine?
The InChIKey is GDWLMXOLKUUPCD-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(8)7(9)4-3-5-10-2/h7-8,10H,3-5,9H2,1-2H3/b8-6+.
What are the key properties of 5-imino-1-N-methylhexane-1,4-diamine?
5-imino-1-N-methylhexane-1,4-diamine has a molecular weight of 143.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-1-N-methylhexane-1,4-diamine is sourced from PubChem (CID 58592142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).