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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 88306210
CID 88306210
CID 89128648
CID 89128648
CID 135295066
CID 135295066
CID 154967341
CID 154967341
CID 155347472
CID 155347472
CID 167081834
CID 167081834
CID 174279458
CID 174279458
CID 142209262
CID 142209262
CID 67788911
CID 67788911
CID 67911042
CID 67911042
CID 67911075
CID 67911075
CID 67911101
CID 67911101

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).