4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine

C36H57N — CID 89197870

IUPAC4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine
SMILESC=CC1CC(C2C=CC(CC(CCC)C(C=C)NC(C)C)CC2)C2=C(CCCC2)C1C1C=CCCC1C
InChIInChI=1S/C36H57N/c1-7-14-30(35(9-3)37-25(4)5)23-27-19-21-29(22-20-27)34-24-28(8-2)36(31-16-11-10-15-26(31)6)33-18-13-12-17-32(33)34/h8-9,11,16,19,21,25-31,34-37H,2-3,7,10,12-15,17-18,20,22-24H2,1,4-6H3
InChIKeyCTQBCYHKMOJBQE-UHFFFAOYSA-N
MW503.86 g/mol
LogP9.84
Rot. Bonds11

About 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine

4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine (PubChem CID 89197870) has the molecular formula C36H57N and a molecular weight of 503.86 g/mol. Its IUPAC name is 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine.

Molecular Properties

Compound Name4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine
PubChem CID89197870
Molecular FormulaC36H57N
Molecular Weight503.86 g/mol
Exact Mass503.45
IUPAC Name4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine
SMILESC=CC1CC(C2C=CC(CC(CCC)C(C=C)NC(C)C)CC2)C2=C(CCCC2)C1C1C=CCCC1C
InChIInChI=1S/C36H57N/c1-7-14-30(35(9-3)37-25(4)5)23-27-19-21-29(22-20-27)34-24-28(8-2)36(31-16-11-10-15-26(31)6)33-18-13-12-17-32(33)34/h8-9,11,16,19,21,25-31,34-37H,2-3,7,10,12-15,17-18,20,22-24H2,1,4-6H3
InChIKeyCTQBCYHKMOJBQE-UHFFFAOYSA-N
XLogP9.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine?
The IUPAC name of 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine (CID 89197870) is 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine.
What is the SMILES notation for 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine?
The canonical SMILES for 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine is C=CC1CC(C2C=CC(CC(CCC)C(C=C)NC(C)C)CC2)C2=C(CCCC2)C1C1C=CCCC1C.
What is the InChIKey of 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine?
The InChIKey is CTQBCYHKMOJBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N/c1-7-14-30(35(9-3)37-25(4)5)23-27-19-21-29(22-20-27)34-24-28(8-2)36(31-16-11-10-15-26(31)6)33-18-13-12-17-32(33)34/h8-9,11,16,19,21,25-31,34-37H,2-3,7,10,12-15,17-18,20,22-24H2,1,4-6H3.
What are the key properties of 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine?
4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine has a molecular weight of 503.86 g/mol, XLogP of 9.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-ethenyl-4-(6-methylcyclohex-2-en-1-yl)-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]cyclohex-2-en-1-yl]methyl]-N-propan-2-ylhept-1-en-3-amine is sourced from PubChem (CID 89197870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).