4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine

C18H34N2 — CID 167207524

IUPAC4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
SMILESC=CC(CC/C=C(\C)CC)C(C)/C(C)=N/CCCCN
InChIInChI=1S/C18H34N2/c1-6-15(3)11-10-12-18(7-2)16(4)17(5)20-14-9-8-13-19/h7,11,16,18H,2,6,8-10,12-14,19H2,1,3-5H3/b15-11+,20-17+
InChIKeyRMMPULWCJKEILL-FHLMLCIISA-N
MW278.48 g/mol
LogP4.76
Rot. Bonds11

About 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine

4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine (PubChem CID 167207524) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine.

Molecular Properties

Compound Name4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
PubChem CID167207524
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine
SMILESC=CC(CC/C=C(\C)CC)C(C)/C(C)=N/CCCCN
InChIInChI=1S/C18H34N2/c1-6-15(3)11-10-12-18(7-2)16(4)17(5)20-14-9-8-13-19/h7,11,16,18H,2,6,8-10,12-14,19H2,1,3-5H3/b15-11+,20-17+
InChIKeyRMMPULWCJKEILL-FHLMLCIISA-N
XLogP4.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 54.76
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-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 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
The IUPAC name of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine (CID 167207524) is 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine.
What is the SMILES notation for 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
The canonical SMILES for 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine is C=CC(CC/C=C(\C)CC)C(C)/C(C)=N/CCCCN.
What is the InChIKey of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
The InChIKey is RMMPULWCJKEILL-FHLMLCIISA-N. The full InChI is InChI=1S/C18H34N2/c1-6-15(3)11-10-12-18(7-2)16(4)17(5)20-14-9-8-13-19/h7,11,16,18H,2,6,8-10,12-14,19H2,1,3-5H3/b15-11+,20-17+.
What are the key properties of 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine?
4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-4-ethenyl-3,8-dimethyldec-7-en-2-ylidene]amino]butan-1-amine is sourced from PubChem (CID 167207524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).