3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine

C32H45N — CID 67951722

IUPAC3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1CC(C2CCC(C3=C4C=CCCC4C(C4C=CCNC4)C=C3)CC2)CC=C1C
InChIInChI=1S/C32H45N/c1-3-4-8-26-21-27(13-12-23(26)2)24-14-16-25(17-15-24)29-18-19-30(28-9-7-20-33-22-28)32-11-6-5-10-31(29)32/h4-5,7-10,12,18-19,24-28,30,32-33H,3,6,11,13-17,20-22H2,1-2H3/b8-4-
InChIKeySWLDHBKQDWIMKJ-YWEYNIOJSA-N
MW443.72 g/mol
LogP7.96
Rot. Bonds5

About 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine

3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine (PubChem CID 67951722) has the molecular formula C32H45N and a molecular weight of 443.72 g/mol. Its IUPAC name is 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine
PubChem CID67951722
Molecular FormulaC32H45N
Molecular Weight443.72 g/mol
Exact Mass443.36
IUPAC Name3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine
SMILESCC/C=C\C1CC(C2CCC(C3=C4C=CCCC4C(C4C=CCNC4)C=C3)CC2)CC=C1C
InChIInChI=1S/C32H45N/c1-3-4-8-26-21-27(13-12-23(26)2)24-14-16-25(17-15-24)29-18-19-30(28-9-7-20-33-22-28)32-11-6-5-10-31(29)32/h4-5,7-10,12,18-19,24-28,30,32-33H,3,6,11,13-17,20-22H2,1-2H3/b8-4-
InChIKeySWLDHBKQDWIMKJ-YWEYNIOJSA-N
XLogP7.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.72
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine (CID 67951722) is 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine is CC/C=C\C1CC(C2CCC(C3=C4C=CCCC4C(C4C=CCNC4)C=C3)CC2)CC=C1C.
What is the InChIKey of 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine?
The InChIKey is SWLDHBKQDWIMKJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C32H45N/c1-3-4-8-26-21-27(13-12-23(26)2)24-14-16-25(17-15-24)29-18-19-30(28-9-7-20-33-22-28)32-11-6-5-10-31(29)32/h4-5,7-10,12,18-19,24-28,30,32-33H,3,6,11,13-17,20-22H2,1-2H3/b8-4-.
What are the key properties of 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine?
3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine has a molecular weight of 443.72 g/mol, XLogP of 7.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[5-[(Z)-but-1-enyl]-4-methylcyclohex-3-en-1-yl]cyclohexyl]-1,7,8,8a-tetrahydronaphthalen-1-yl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 67951722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).