(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane

C25H49N — CID 142374781

About (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane

(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane (PubChem CID 142374781) has the molecular formula C25H49N and a molecular weight of 363.67 g/mol. Its IUPAC name is (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane.

Molecular Properties

• Compound Name: (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane
• PubChem CID: 142374781
• Molecular Formula: C25H49N
• Molecular Weight: 363.67 g/mol
• Exact Mass: 363.39
• IUPAC Name: (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane
• SMILES: C=C(C)C(/C(CC)=N/C)=C(/C)CC(CC)(CC)CCCC.CCCCC
• InChI: InChI=1S/C20H37N.C5H12/c1-9-13-14-20(11-3,12-4)15-17(7)19(16(5)6)18(10-2)21-8;1-3-5-4-2/h5,9-15H2,1-4,6-8H3;3-5H2,1-2H3/b19-17+,21-18+
• InChIKey: BFKLDEAHQDUPCR-ZHKSPIAZSA-N
• XLogP: 8.94
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	363.67
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane?

The IUPAC name of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane (CID 142374781) is (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane.

What is the SMILES notation for (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane?

The canonical SMILES for (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane is C=C(C)C(/C(CC)=N/C)=C(/C)CC(CC)(CC)CCCC.CCCCC.

What is the InChIKey of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane?

The InChIKey is BFKLDEAHQDUPCR-ZHKSPIAZSA-N. The full InChI is InChI=1S/C20H37N.C5H12/c1-9-13-14-20(11-3,12-4)15-17(7)19(16(5)6)18(10-2)21-8;1-3-5-4-2/h5,9-15H2,1-4,6-8H3;3-5H2,1-2H3/b19-17+,21-18+;.

What are the key properties of (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane?

(E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane has a molecular weight of 363.67 g/mol, XLogP of 8.94, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-7,7-diethyl-N,5-dimethyl-4-prop-1-en-2-ylundec-4-en-3-imine;pentane is sourced from PubChem (CID 142374781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).