(E)-3-N-methylhept-5-ene-3,4-diamine

C8H18N2 — CID 163690513

IUPAC(E)-3-N-methylhept-5-ene-3,4-diamine
SMILESC/C=C/C(N)C(CC)NC
InChIInChI=1S/C8H18N2/c1-4-6-7(9)8(5-2)10-3/h4,6-8,10H,5,9H2,1-3H3/b6-4+
InChIKeyJSOZEMAIUZDDEW-GQCTYLIASA-N
MW142.25 g/mol
LogP0.89
Rot. Bonds4

About (E)-3-N-methylhept-5-ene-3,4-diamine

(E)-3-N-methylhept-5-ene-3,4-diamine (PubChem CID 163690513) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-3-N-methylhept-5-ene-3,4-diamine.

Molecular Properties

Compound Name(E)-3-N-methylhept-5-ene-3,4-diamine
PubChem CID163690513
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-3-N-methylhept-5-ene-3,4-diamine
SMILESC/C=C/C(N)C(CC)NC
InChIInChI=1S/C8H18N2/c1-4-6-7(9)8(5-2)10-3/h4,6-8,10H,5,9H2,1-3H3/b6-4+
InChIKeyJSOZEMAIUZDDEW-GQCTYLIASA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-N-methylhept-5-ene-3,4-diamine?
The IUPAC name of (E)-3-N-methylhept-5-ene-3,4-diamine (CID 163690513) is (E)-3-N-methylhept-5-ene-3,4-diamine.
What is the SMILES notation for (E)-3-N-methylhept-5-ene-3,4-diamine?
The canonical SMILES for (E)-3-N-methylhept-5-ene-3,4-diamine is C/C=C/C(N)C(CC)NC.
What is the InChIKey of (E)-3-N-methylhept-5-ene-3,4-diamine?
The InChIKey is JSOZEMAIUZDDEW-GQCTYLIASA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-7(9)8(5-2)10-3/h4,6-8,10H,5,9H2,1-3H3/b6-4+.
What are the key properties of (E)-3-N-methylhept-5-ene-3,4-diamine?
(E)-3-N-methylhept-5-ene-3,4-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-methylhept-5-ene-3,4-diamine is sourced from PubChem (CID 163690513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).