oct-7-en-1-amine

C8H17N — CID 12878169

IUPACoct-7-en-1-amine
SMILESC=CCCCCCCN
InChIInChI=1S/C8H17N/c1-2-3-4-5-6-7-8-9/h2H,1,3-9H2
InChIKeyHOMWBVGCEKMCBR-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds6

About oct-7-en-1-amine

oct-7-en-1-amine (PubChem CID 12878169) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is oct-7-en-1-amine.

Molecular Properties

Compound Nameoct-7-en-1-amine
PubChem CID12878169
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameoct-7-en-1-amine
SMILESC=CCCCCCCN
InChIInChI=1S/C8H17N/c1-2-3-4-5-6-7-8-9/h2H,1,3-9H2
InChIKeyHOMWBVGCEKMCBR-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 oct-7-en-1-amine?
The IUPAC name of oct-7-en-1-amine (CID 12878169) is oct-7-en-1-amine.
What is the SMILES notation for oct-7-en-1-amine?
The canonical SMILES for oct-7-en-1-amine is C=CCCCCCCN.
What is the InChIKey of oct-7-en-1-amine?
The InChIKey is HOMWBVGCEKMCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-2-3-4-5-6-7-8-9/h2H,1,3-9H2.
What are the key properties of oct-7-en-1-amine?
oct-7-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-1-amine is sourced from PubChem (CID 12878169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).