N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

C24H36F3N — CID 139670667

IUPACN-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCCCC1CCC(C2CC=C(C3(N(CC)C(F)(F)F)C=CC=CC3)CC2)CC1
InChIInChI=1S/C24H36F3N/c1-3-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(17-6-5-7-18-23)28(4-2)24(25,26)27/h5-7,15,17,19-21H,3-4,8-14,16,18H2,1-2H3
InChIKeyNKPITDBZXJCEIO-UHFFFAOYSA-N
MW395.55 g/mol
LogP7.42
Rot. Bonds6

About N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine

N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (PubChem CID 139670667) has the molecular formula C24H36F3N and a molecular weight of 395.55 g/mol. Its IUPAC name is N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
PubChem CID139670667
Molecular FormulaC24H36F3N
Molecular Weight395.55 g/mol
Exact Mass395.28
IUPAC NameN-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
SMILESCCCC1CCC(C2CC=C(C3(N(CC)C(F)(F)F)C=CC=CC3)CC2)CC1
InChIInChI=1S/C24H36F3N/c1-3-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(17-6-5-7-18-23)28(4-2)24(25,26)27/h5-7,15,17,19-21H,3-4,8-14,16,18H2,1-2H3
InChIKeyNKPITDBZXJCEIO-UHFFFAOYSA-N
XLogP7.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine (CID 139670667) is N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is CCCC1CCC(C2CC=C(C3(N(CC)C(F)(F)F)C=CC=CC3)CC2)CC1.
What is the InChIKey of N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is NKPITDBZXJCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36F3N/c1-3-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23(17-6-5-7-18-23)28(4-2)24(25,26)27/h5-7,15,17,19-21H,3-4,8-14,16,18H2,1-2H3.
What are the key properties of N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine?
N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 395.55 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139670667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).