(Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine

C27H35N — CID 143465565

About (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine

(Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine (PubChem CID 143465565) has the molecular formula C27H35N and a molecular weight of 373.58 g/mol. Its IUPAC name is (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine.

Molecular Properties

• Compound Name: (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine
• PubChem CID: 143465565
• Molecular Formula: C27H35N
• Molecular Weight: 373.58 g/mol
• Exact Mass: 373.28
• IUPAC Name: (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine
• SMILES: C=C/C(=C\CC)C(=C)C1=CC(CC(/C=C\CC)=N/CC)C2CC=CC=C2C1=C
• InChI: InChI=1S/C27H35N/c1-7-11-15-24(28-10-4)18-23-19-27(20(5)22(9-3)14-8-2)21(6)25-16-12-13-17-26(23)25/h9,11-16,19,23,26H,3,5-8,10,17-18H2,1-2,4H3/b15-11-,22-14+,28-24+
• InChIKey: SRESUDLHXZIEFA-ZMWLWGGASA-N
• XLogP: 7.50
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	373.58
LogP ≤ 5	7.50
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 (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine?

The IUPAC name of (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine (CID 143465565) is (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine.

What is the SMILES notation for (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine?

The canonical SMILES for (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine is C=C/C(=C\CC)C(=C)C1=CC(CC(/C=C\CC)=N/CC)C2CC=CC=C2C1=C.

What is the InChIKey of (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine?

The InChIKey is SRESUDLHXZIEFA-ZMWLWGGASA-N. The full InChI is InChI=1S/C27H35N/c1-7-11-15-24(28-10-4)18-23-19-27(20(5)22(9-3)14-8-2)21(6)25-16-12-13-17-26(23)25/h9,11-16,19,23,26H,3,5-8,10,17-18H2,1-2,4H3/b15-11-,22-14+,28-24+.

What are the key properties of (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine?

(Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine has a molecular weight of 373.58 g/mol, XLogP of 7.50, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[3-[(3E)-3-ethenylhexa-1,3-dien-2-yl]-4-methylidene-8,8a-dihydro-1H-naphthalen-1-yl]-N-ethylhex-3-en-2-imine is sourced from PubChem (CID 143465565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).