4-(propylideneamino)octa-6,7-dien-1-amine

C11H20N2 — CID 57187107

IUPAC4-(propylideneamino)octa-6,7-dien-1-amine
SMILESC=C=CCC(CCCN)/N=C/CC
InChIInChI=1S/C11H20N2/c1-3-5-7-11(8-6-9-12)13-10-4-2/h5,10-11H,1,4,6-9,12H2,2H3/b13-10+
InChIKeyVIGHRXZNIDJRCX-JLHYYAGUSA-N
MW180.29 g/mol
LogP2.31
Rot. Bonds7

About 4-(propylideneamino)octa-6,7-dien-1-amine

4-(propylideneamino)octa-6,7-dien-1-amine (PubChem CID 57187107) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-(propylideneamino)octa-6,7-dien-1-amine.

Molecular Properties

Compound Name4-(propylideneamino)octa-6,7-dien-1-amine
PubChem CID57187107
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-(propylideneamino)octa-6,7-dien-1-amine
SMILESC=C=CCC(CCCN)/N=C/CC
InChIInChI=1S/C11H20N2/c1-3-5-7-11(8-6-9-12)13-10-4-2/h5,10-11H,1,4,6-9,12H2,2H3/b13-10+
InChIKeyVIGHRXZNIDJRCX-JLHYYAGUSA-N
XLogP2.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(propylideneamino)octa-6,7-dien-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

Related Compounds

1-(Propylideneamino)octa-6,7-dien-4-amine
CID 57011321
4-(Oct-7-enylideneamino)nona-1,8-dien-5-amine
CID 57271448
5-Pent-4-en-2-yliminopentan-1-amine
CID 123770418
5-Ethyliminoocta-6,7-dien-3-amine
CID 163904487

Frequently Asked Questions

What is the IUPAC name of 4-(propylideneamino)octa-6,7-dien-1-amine?
The IUPAC name of 4-(propylideneamino)octa-6,7-dien-1-amine (CID 57187107) is 4-(propylideneamino)octa-6,7-dien-1-amine.
What is the SMILES notation for 4-(propylideneamino)octa-6,7-dien-1-amine?
The canonical SMILES for 4-(propylideneamino)octa-6,7-dien-1-amine is C=C=CCC(CCCN)/N=C/CC.
What is the InChIKey of 4-(propylideneamino)octa-6,7-dien-1-amine?
The InChIKey is VIGHRXZNIDJRCX-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-11(8-6-9-12)13-10-4-2/h5,10-11H,1,4,6-9,12H2,2H3/b13-10+.
What are the key properties of 4-(propylideneamino)octa-6,7-dien-1-amine?
4-(propylideneamino)octa-6,7-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylideneamino)octa-6,7-dien-1-amine is sourced from PubChem (CID 57187107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).