oct-4-ene-1,8-diamine

C8H18N2 — CID 3023535

IUPACoct-4-ene-1,8-diamine
SMILESNCCCC=CCCCN
InChIInChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h1-2H,3-10H2
InChIKeyDRHRDPAGERBYMT-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.02
Rot. Bonds6

About oct-4-ene-1,8-diamine

oct-4-ene-1,8-diamine (PubChem CID 3023535) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is oct-4-ene-1,8-diamine.

Molecular Properties

Compound Nameoct-4-ene-1,8-diamine
PubChem CID3023535
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameoct-4-ene-1,8-diamine
SMILESNCCCC=CCCCN
InChIInChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h1-2H,3-10H2
InChIKeyDRHRDPAGERBYMT-UHFFFAOYSA-N
XLogP1.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.02
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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Related Compounds

(4E)-4-Hexen-1-amine
CID 5466587
Hept-3-en-1-amine hydrochloride
CID 155822393
trans-3-Heptene-1,7-diamine
CID 10057529
Octa-2,7-dien-1-amine
CID 10176143
(E)-oct-3-en-1-amine
CID 10749532
(e)-4,6-Heptadienylamine
CID 13658911
(E)-hex-3-ene-1,6-diamine
CID 19017964
2,7-Octadienylamine
CID 54083862
4-Heptenylamine
CID 54200360
(4E,6E)-octa-4,6-dien-1-amine
CID 55290579
Hepta-4,6-dien-1-amine
CID 58219663
1,10 Diamino-dec-5-ene
CID 86594829

Frequently Asked Questions

What is the IUPAC name of oct-4-ene-1,8-diamine?
The IUPAC name of oct-4-ene-1,8-diamine (CID 3023535) is oct-4-ene-1,8-diamine.
What is the SMILES notation for oct-4-ene-1,8-diamine?
The canonical SMILES for oct-4-ene-1,8-diamine is NCCCC=CCCCN.
What is the InChIKey of oct-4-ene-1,8-diamine?
The InChIKey is DRHRDPAGERBYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h1-2H,3-10H2.
What are the key properties of oct-4-ene-1,8-diamine?
oct-4-ene-1,8-diamine has a molecular weight of 142.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-4-ene-1,8-diamine is sourced from PubChem (CID 3023535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).