octa-5,6-dien-1-amine

C8H15N — CID 10034634

IUPACocta-5,6-dien-1-amine
SMILESCC=C=CCCCCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,4H,5-9H2,1H3
InChIKeyFGPHEYLBFNJEGA-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.85
Rot. Bonds4

About octa-5,6-dien-1-amine

octa-5,6-dien-1-amine (PubChem CID 10034634) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is octa-5,6-dien-1-amine.

Molecular Properties

Compound Nameocta-5,6-dien-1-amine
PubChem CID10034634
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Nameocta-5,6-dien-1-amine
SMILESCC=C=CCCCCN
InChIInChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,4H,5-9H2,1H3
InChIKeyFGPHEYLBFNJEGA-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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Frequently Asked Questions

What is the IUPAC name of octa-5,6-dien-1-amine?
The IUPAC name of octa-5,6-dien-1-amine (CID 10034634) is octa-5,6-dien-1-amine.
What is the SMILES notation for octa-5,6-dien-1-amine?
The canonical SMILES for octa-5,6-dien-1-amine is CC=C=CCCCCN.
What is the InChIKey of octa-5,6-dien-1-amine?
The InChIKey is FGPHEYLBFNJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2,4H,5-9H2,1H3.
What are the key properties of octa-5,6-dien-1-amine?
octa-5,6-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-5,6-dien-1-amine is sourced from PubChem (CID 10034634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).