N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine

C25H35N — CID 130178634

About N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine

N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine (PubChem CID 130178634) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine.

Molecular Properties

• Compound Name: N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine
• PubChem CID: 130178634
• Molecular Formula: C25H35N
• Molecular Weight: 349.56 g/mol
• Exact Mass: 349.28
• IUPAC Name: N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine
• SMILES: CC=CC(C)(CC)C1CC=c2ccccc2=C1/C(CC)=N/C=C(/C)CC
• InChI: InChI=1S/C25H35N/c1-7-17-25(6,10-4)22-16-15-20-13-11-12-14-21(20)24(22)23(9-3)26-18-19(5)8-2/h7,11-15,17-18,22H,8-10,16H2,1-6H3/b17-7?,19-18-,26-23+
• InChIKey: FASRYKUJXAEXRO-CCDATJJMSA-N
• XLogP: 5.79
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	349.56
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine?

The IUPAC name of N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine (CID 130178634) is N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine.

What is the SMILES notation for N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine?

The canonical SMILES for N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine is CC=CC(C)(CC)C1CC=c2ccccc2=C1/C(CC)=N/C=C(/C)CC.

What is the InChIKey of N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine?

The InChIKey is FASRYKUJXAEXRO-CCDATJJMSA-N. The full InChI is InChI=1S/C25H35N/c1-7-17-25(6,10-4)22-16-15-20-13-11-12-14-21(20)24(22)23(9-3)26-18-19(5)8-2/h7,11-15,17-18,22H,8-10,16H2,1-6H3/b17-7?,19-18-,26-23+.

What are the key properties of N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine?

N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine has a molecular weight of 349.56 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine is sourced from PubChem (CID 130178634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).