(E)-5-methylhept-5-ene-1,6-diamine

C8H18N2 — CID 87894692

IUPAC(E)-5-methylhept-5-ene-1,6-diamine
SMILESC/C(N)=C(/C)CCCCN
InChIInChI=1S/C8H18N2/c1-7(8(2)10)5-3-4-6-9/h3-6,9-10H2,1-2H3/b8-7+
InChIKeyQOXUKYCEQMINDL-BQYQJAHWSA-N
MW142.25 g/mol
LogP1.37
Rot. Bonds4

About (E)-5-methylhept-5-ene-1,6-diamine

(E)-5-methylhept-5-ene-1,6-diamine (PubChem CID 87894692) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (E)-5-methylhept-5-ene-1,6-diamine.

Molecular Properties

Compound Name(E)-5-methylhept-5-ene-1,6-diamine
PubChem CID87894692
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(E)-5-methylhept-5-ene-1,6-diamine
SMILESC/C(N)=C(/C)CCCCN
InChIInChI=1S/C8H18N2/c1-7(8(2)10)5-3-4-6-9/h3-6,9-10H2,1-2H3/b8-7+
InChIKeyQOXUKYCEQMINDL-BQYQJAHWSA-N
XLogP1.37
TPSA52.04 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-methylhept-5-ene-1,6-diamine?
The IUPAC name of (E)-5-methylhept-5-ene-1,6-diamine (CID 87894692) is (E)-5-methylhept-5-ene-1,6-diamine.
What is the SMILES notation for (E)-5-methylhept-5-ene-1,6-diamine?
The canonical SMILES for (E)-5-methylhept-5-ene-1,6-diamine is C/C(N)=C(/C)CCCCN.
What is the InChIKey of (E)-5-methylhept-5-ene-1,6-diamine?
The InChIKey is QOXUKYCEQMINDL-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(8(2)10)5-3-4-6-9/h3-6,9-10H2,1-2H3/b8-7+.
What are the key properties of (E)-5-methylhept-5-ene-1,6-diamine?
(E)-5-methylhept-5-ene-1,6-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methylhept-5-ene-1,6-diamine is sourced from PubChem (CID 87894692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).