octa-1,7-diene-4,5-diamine

C8H16N2 — CID 18628866

IUPACocta-1,7-diene-4,5-diamine
SMILESC=CCC(N)C(N)CC=C
InChIInChI=1S/C8H16N2/c1-3-5-7(9)8(10)6-4-2/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyMRLXGFBWLDCANI-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.79
Rot. Bonds5

About octa-1,7-diene-4,5-diamine

octa-1,7-diene-4,5-diamine (PubChem CID 18628866) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is octa-1,7-diene-4,5-diamine.

Molecular Properties

Compound Nameocta-1,7-diene-4,5-diamine
PubChem CID18628866
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Nameocta-1,7-diene-4,5-diamine
SMILESC=CCC(N)C(N)CC=C
InChIInChI=1S/C8H16N2/c1-3-5-7(9)8(10)6-4-2/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyMRLXGFBWLDCANI-UHFFFAOYSA-N
XLogP0.79
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octa-1,7-diene-4,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of octa-1,7-diene-4,5-diamine?
The IUPAC name of octa-1,7-diene-4,5-diamine (CID 18628866) is octa-1,7-diene-4,5-diamine.
What is the SMILES notation for octa-1,7-diene-4,5-diamine?
The canonical SMILES for octa-1,7-diene-4,5-diamine is C=CCC(N)C(N)CC=C.
What is the InChIKey of octa-1,7-diene-4,5-diamine?
The InChIKey is MRLXGFBWLDCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-5-7(9)8(10)6-4-2/h3-4,7-8H,1-2,5-6,9-10H2.
What are the key properties of octa-1,7-diene-4,5-diamine?
octa-1,7-diene-4,5-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,7-diene-4,5-diamine is sourced from PubChem (CID 18628866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).