4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine

C33H57N — CID 163571985

IUPAC4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine
SMILESC=CC1CCC(C2CCC(CC)C(C3CC(C4CCC(C=C)CC4)CCC3NCCC)C2)CC1
InChIInChI=1S/C33H57N/c1-5-21-34-33-20-19-30(28-15-11-25(7-3)12-16-28)23-32(33)31-22-29(18-17-26(31)8-4)27-13-9-24(6-2)10-14-27/h6-7,24-34H,2-3,5,8-23H2,1,4H3
InChIKeyGADWELYHUAZTOO-UHFFFAOYSA-N
MW467.83 g/mol
LogP9.20
Rot. Bonds9

About 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine

4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine (PubChem CID 163571985) has the molecular formula C33H57N and a molecular weight of 467.83 g/mol. Its IUPAC name is 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine
PubChem CID163571985
Molecular FormulaC33H57N
Molecular Weight467.83 g/mol
Exact Mass467.45
IUPAC Name4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine
SMILESC=CC1CCC(C2CCC(CC)C(C3CC(C4CCC(C=C)CC4)CCC3NCCC)C2)CC1
InChIInChI=1S/C33H57N/c1-5-21-34-33-20-19-30(28-15-11-25(7-3)12-16-28)23-32(33)31-22-29(18-17-26(31)8-4)27-13-9-24(6-2)10-14-27/h6-7,24-34H,2-3,5,8-23H2,1,4H3
InChIKeyGADWELYHUAZTOO-UHFFFAOYSA-N
XLogP9.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.83
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine (CID 163571985) is 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine is C=CC1CCC(C2CCC(CC)C(C3CC(C4CCC(C=C)CC4)CCC3NCCC)C2)CC1.
What is the InChIKey of 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine?
The InChIKey is GADWELYHUAZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H57N/c1-5-21-34-33-20-19-30(28-15-11-25(7-3)12-16-28)23-32(33)31-22-29(18-17-26(31)8-4)27-13-9-24(6-2)10-14-27/h6-7,24-34H,2-3,5,8-23H2,1,4H3.
What are the key properties of 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine?
4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine has a molecular weight of 467.83 g/mol, XLogP of 9.20, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylcyclohexyl)-2-[5-(4-ethenylcyclohexyl)-2-ethylcyclohexyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 163571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).