4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine

C42H67NO — CID 130182493

IUPAC4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine
SMILESCCCNC1CC=C(CC2C=C(C3CCOCC3)CC(CCCC3CCC=C(C4CCC(C5=CCCCC5)CC4)C3)C2)CC1
InChIInChI=1S/C42H67NO/c1-2-24-43-42-20-14-33(15-21-42)27-35-28-34(30-41(31-35)39-22-25-44-26-23-39)10-6-8-32-9-7-13-40(29-32)38-18-16-37(17-19-38)36-11-4-3-5-12-36/h11,13-14,31-32,34-35,37-39,42-43H,2-10,12,15-30H2,1H3
InChIKeyAXYCKMUMZJQIJK-UHFFFAOYSA-N
MW602.00 g/mol
LogP11.44
Rot. Bonds12

About 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine

4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine (PubChem CID 130182493) has the molecular formula C42H67NO and a molecular weight of 602.00 g/mol. Its IUPAC name is 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine
PubChem CID130182493
Molecular FormulaC42H67NO
Molecular Weight602.00 g/mol
Exact Mass601.52
IUPAC Name4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine
SMILESCCCNC1CC=C(CC2C=C(C3CCOCC3)CC(CCCC3CCC=C(C4CCC(C5=CCCCC5)CC4)C3)C2)CC1
InChIInChI=1S/C42H67NO/c1-2-24-43-42-20-14-33(15-21-42)27-35-28-34(30-41(31-35)39-22-25-44-26-23-39)10-6-8-32-9-7-13-40(29-32)38-18-16-37(17-19-38)36-11-4-3-5-12-36/h11,13-14,31-32,34-35,37-39,42-43H,2-10,12,15-30H2,1H3
InChIKeyAXYCKMUMZJQIJK-UHFFFAOYSA-N
XLogP11.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.00
LogP ≤ 511.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine?
The IUPAC name of 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine (CID 130182493) is 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine?
The canonical SMILES for 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine is CCCNC1CC=C(CC2C=C(C3CCOCC3)CC(CCCC3CCC=C(C4CCC(C5=CCCCC5)CC4)C3)C2)CC1.
What is the InChIKey of 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine?
The InChIKey is AXYCKMUMZJQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H67NO/c1-2-24-43-42-20-14-33(15-21-42)27-35-28-34(30-41(31-35)39-22-25-44-26-23-39)10-6-8-32-9-7-13-40(29-32)38-18-16-37(17-19-38)36-11-4-3-5-12-36/h11,13-14,31-32,34-35,37-39,42-43H,2-10,12,15-30H2,1H3.
What are the key properties of 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine?
4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine has a molecular weight of 602.00 g/mol, XLogP of 11.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3-[3-[4-(cyclohexen-1-yl)cyclohexyl]cyclohex-3-en-1-yl]propyl]-3-(oxan-4-yl)cyclohex-2-en-1-yl]methyl]-N-propylcyclohex-3-en-1-amine is sourced from PubChem (CID 130182493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).