(E)-hept-3-ene-1,7-diamine

C7H16N2 — CID 10057529

IUPAC(E)-hept-3-ene-1,7-diamine
SMILESNCC/C=C/CCCN
InChIInChI=1S/C7H16N2/c8-6-4-2-1-3-5-7-9/h1-2H,3-9H2/b2-1+
InChIKeyGZVIKXWCJWJPFM-OWOJBTEDSA-N
MW128.22 g/mol
LogP0.63
Rot. Bonds5

About (E)-hept-3-ene-1,7-diamine

(E)-hept-3-ene-1,7-diamine (PubChem CID 10057529) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is (E)-hept-3-ene-1,7-diamine.

Molecular Properties

Compound Name(E)-hept-3-ene-1,7-diamine
PubChem CID10057529
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name(E)-hept-3-ene-1,7-diamine
SMILESNCC/C=C/CCCN
InChIInChI=1S/C7H16N2/c8-6-4-2-1-3-5-7-9/h1-2H,3-9H2/b2-1+
InChIKeyGZVIKXWCJWJPFM-OWOJBTEDSA-N
XLogP0.63
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-hept-3-ene-1,7-diamine?
The IUPAC name of (E)-hept-3-ene-1,7-diamine (CID 10057529) is (E)-hept-3-ene-1,7-diamine.
What is the SMILES notation for (E)-hept-3-ene-1,7-diamine?
The canonical SMILES for (E)-hept-3-ene-1,7-diamine is NCC/C=C/CCCN.
What is the InChIKey of (E)-hept-3-ene-1,7-diamine?
The InChIKey is GZVIKXWCJWJPFM-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H16N2/c8-6-4-2-1-3-5-7-9/h1-2H,3-9H2/b2-1+.
What are the key properties of (E)-hept-3-ene-1,7-diamine?
(E)-hept-3-ene-1,7-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-hept-3-ene-1,7-diamine is sourced from PubChem (CID 10057529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).