octa-4,5-dien-1-amine

C8H15N — CID 55284757

IUPACocta-4,5-dien-1-amine
SMILESCCC=C=CCCCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h3,5H,2,6-9H2,1H3
InChIKeyNWKDTNVCWRDKTA-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.85
Rot. Bonds4

About octa-4,5-dien-1-amine

octa-4,5-dien-1-amine (PubChem CID 55284757) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is octa-4,5-dien-1-amine.

Molecular Properties

Compound Nameocta-4,5-dien-1-amine
PubChem CID55284757
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameocta-4,5-dien-1-amine
SMILESCCC=C=CCCCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h3,5H,2,6-9H2,1H3
InChIKeyNWKDTNVCWRDKTA-UHFFFAOYSA-N
XLogP1.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodeca-3,4-diene
CID 91492112
octa-4,5-dien-1-ol
CID 14002940
octa-5,6-dien-1-amine
CID 10034634
octadeca-3,4,11,15-tetraene
CID 174642630
pentacosa-12,13-diene
CID 174365678
nona-5,6-dien-1-yne
CID 123395060
octadeca-5,6-diene
CID 141110817
methyl tetradeca-10,11-dienoate
CID 91694384
CID 58596824
CID 58596824
1,1,1-trichlorohexa-2,3-diene
CID 119097671
dimethyl 2-hepta-3,4-dienylpropanedioate
CID 121009606
octadeca-2,3-dien-1-ol
CID 138969077

Frequently Asked Questions

What is the IUPAC name of octa-4,5-dien-1-amine?
The IUPAC name of octa-4,5-dien-1-amine (CID 55284757) is octa-4,5-dien-1-amine.
What is the SMILES notation for octa-4,5-dien-1-amine?
The canonical SMILES for octa-4,5-dien-1-amine is CCC=C=CCCCN.
What is the InChIKey of octa-4,5-dien-1-amine?
The InChIKey is NWKDTNVCWRDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h3,5H,2,6-9H2,1H3.
What are the key properties of octa-4,5-dien-1-amine?
octa-4,5-dien-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-4,5-dien-1-amine is sourced from PubChem (CID 55284757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).