8-ethyliminooct-7-en-1-amine

C10H20N2 — CID 171524424

IUPAC8-ethyliminooct-7-en-1-amine
SMILESCCN=C=CCCCCCCN
InChIInChI=1S/C10H20N2/c1-2-12-10-8-6-4-3-5-7-9-11/h8H,2-7,9,11H2,1H3
InChIKeyYPRPPQKAMCIRRT-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.14
Rot. Bonds7

About 8-ethyliminooct-7-en-1-amine

8-ethyliminooct-7-en-1-amine (PubChem CID 171524424) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 8-ethyliminooct-7-en-1-amine.

Molecular Properties

Compound Name8-ethyliminooct-7-en-1-amine
PubChem CID171524424
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name8-ethyliminooct-7-en-1-amine
SMILESCCN=C=CCCCCCCN
InChIInChI=1S/C10H20N2/c1-2-12-10-8-6-4-3-5-7-9-11/h8H,2-7,9,11H2,1H3
InChIKeyYPRPPQKAMCIRRT-UHFFFAOYSA-N
XLogP2.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-ethyliminooct-7-en-1-amine 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 8-ethyliminooct-7-en-1-amine?
The IUPAC name of 8-ethyliminooct-7-en-1-amine (CID 171524424) is 8-ethyliminooct-7-en-1-amine.
What is the SMILES notation for 8-ethyliminooct-7-en-1-amine?
The canonical SMILES for 8-ethyliminooct-7-en-1-amine is CCN=C=CCCCCCCN.
What is the InChIKey of 8-ethyliminooct-7-en-1-amine?
The InChIKey is YPRPPQKAMCIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-12-10-8-6-4-3-5-7-9-11/h8H,2-7,9,11H2,1H3.
What are the key properties of 8-ethyliminooct-7-en-1-amine?
8-ethyliminooct-7-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyliminooct-7-en-1-amine is sourced from PubChem (CID 171524424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).