oct-7-en-4-amine

C8H17N — CID 55289415

IUPACoct-7-en-4-amine
SMILESC=CCCC(N)CCC
InChIInChI=1S/C8H17N/c1-3-5-7-8(9)6-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyCVZBUSLENFDCHF-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds5

About oct-7-en-4-amine

oct-7-en-4-amine (PubChem CID 55289415) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is oct-7-en-4-amine.

Molecular Properties

Compound Nameoct-7-en-4-amine
PubChem CID55289415
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Nameoct-7-en-4-amine
SMILESC=CCCC(N)CCC
InChIInChI=1S/C8H17N/c1-3-5-7-8(9)6-4-2/h3,8H,1,4-7,9H2,2H3
InChIKeyCVZBUSLENFDCHF-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze oct-7-en-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dec-9-en-1-amine
CID 11378628
Undec-10-en-1-amine
CID 11768976
5-Hexen-2-amine
CID 202050
Hept-6-en-2-amine
CID 54516059
Hex-5-en-2-amine hydrochloride
CID 85972458
1,8-Nonadiene-5-ylamine
CID 11400817
Oct-7-en-1-amine
CID 12878169
Dodec-1-en-4-amine
CID 14711916
4,5-Diamino-1,7-octadiene
CID 18628866
8-Nonen-4-amine
CID 24795685
Dodec-11-en-3-amine
CID 53953798
8-Nonen-1-amine
CID 54054691

Frequently Asked Questions

What is the IUPAC name of oct-7-en-4-amine?
The IUPAC name of oct-7-en-4-amine (CID 55289415) is oct-7-en-4-amine.
What is the SMILES notation for oct-7-en-4-amine?
The canonical SMILES for oct-7-en-4-amine is C=CCCC(N)CCC.
What is the InChIKey of oct-7-en-4-amine?
The InChIKey is CVZBUSLENFDCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-5-7-8(9)6-4-2/h3,8H,1,4-7,9H2,2H3.
What are the key properties of oct-7-en-4-amine?
oct-7-en-4-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-en-4-amine is sourced from PubChem (CID 55289415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).