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

C11H20N2 — CID 57011321

IUPAC1-(propylideneamino)octa-6,7-dien-4-amine
SMILESC=C=CCC(N)CCC/N=C/CC
InChIInChI=1S/C11H20N2/c1-3-5-7-11(12)8-6-10-13-9-4-2/h5,9,11H,1,4,6-8,10,12H2,2H3/b13-9+
InChIKeyXVFYOBGFPOTNOP-UKTHLTGXSA-N
MW180.29 g/mol
LogP2.31
Rot. Bonds7

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

1-(propylideneamino)octa-6,7-dien-4-amine (PubChem CID 57011321) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(propylideneamino)octa-6,7-dien-4-amine.

Molecular Properties

Compound Name1-(propylideneamino)octa-6,7-dien-4-amine
PubChem CID57011321
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(propylideneamino)octa-6,7-dien-4-amine
SMILESC=C=CCC(N)CCC/N=C/CC
InChIInChI=1S/C11H20N2/c1-3-5-7-11(12)8-6-10-13-9-4-2/h5,9,11H,1,4,6-8,10,12H2,2H3/b13-9+
InChIKeyXVFYOBGFPOTNOP-UKTHLTGXSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(propylideneamino)octa-6,7-dien-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

4-(Propylideneamino)octa-6,7-dien-1-amine
CID 57187107
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 1-(propylideneamino)octa-6,7-dien-4-amine?
The IUPAC name of 1-(propylideneamino)octa-6,7-dien-4-amine (CID 57011321) is 1-(propylideneamino)octa-6,7-dien-4-amine.
What is the SMILES notation for 1-(propylideneamino)octa-6,7-dien-4-amine?
The canonical SMILES for 1-(propylideneamino)octa-6,7-dien-4-amine is C=C=CCC(N)CCC/N=C/CC.
What is the InChIKey of 1-(propylideneamino)octa-6,7-dien-4-amine?
The InChIKey is XVFYOBGFPOTNOP-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-7-11(12)8-6-10-13-9-4-2/h5,9,11H,1,4,6-8,10,12H2,2H3/b13-9+.
What are the key properties of 1-(propylideneamino)octa-6,7-dien-4-amine?
1-(propylideneamino)octa-6,7-dien-4-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 1-(propylideneamino)octa-6,7-dien-4-amine is sourced from PubChem (CID 57011321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).