N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene

C32H47F2N — CID 142271459

IUPACN-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene
SMILESC=C.C=C(NCC1(c2ccccc2)CCC(C(C)(C)CC(C)(F)F)CC1)c1ccccc1C.CC
InChIInChI=1S/C28H37F2N.C2H6.C2H4/c1-21-11-9-10-14-25(21)22(2)31-20-28(24-12-7-6-8-13-24)17-15-23(16-18-28)26(3,4)19-27(5,29)30;2*1-2/h6-14,23,31H,2,15-20H2,1,3-5H3;1-2H3;1-2H2
InChIKeyJHVINPQTYNDBMA-UHFFFAOYSA-N
MW483.73 g/mol
LogP9.58
Rot. Bonds8

About N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene

N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene (PubChem CID 142271459) has the molecular formula C32H47F2N and a molecular weight of 483.73 g/mol. Its IUPAC name is N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene.

Molecular Properties

Compound NameN-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene
PubChem CID142271459
Molecular FormulaC32H47F2N
Molecular Weight483.73 g/mol
Exact Mass483.37
IUPAC NameN-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene
SMILESC=C.C=C(NCC1(c2ccccc2)CCC(C(C)(C)CC(C)(F)F)CC1)c1ccccc1C.CC
InChIInChI=1S/C28H37F2N.C2H6.C2H4/c1-21-11-9-10-14-25(21)22(2)31-20-28(24-12-7-6-8-13-24)17-15-23(16-18-28)26(3,4)19-27(5,29)30;2*1-2/h6-14,23,31H,2,15-20H2,1,3-5H3;1-2H3;1-2H2
InChIKeyJHVINPQTYNDBMA-UHFFFAOYSA-N
XLogP9.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.73
LogP ≤ 59.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-N-[(4-methyl-1-phenylcyclohexyl)methyl]ethenamine
CID 142271338
[4-[[1-(2-methylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl] N-(3-hydroxypropyl)carbamate
CID 89204009
N'-[4-[[1-(2-ethylphenyl)ethenylamino]methyl]-4-phenylcyclohexyl]methanimidamide;N-methylethanamine
CID 142271242
N-[[4-[1-amino-1-(2H-azirin-3-ylimino)but-3-en-2-yl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271448
ethane;N-[[4-[2-(1-methoxybutan-2-yl)hydrazinyl]-1-phenylcyclohexyl]methyl]-2-methylbenzamide
CID 142271283
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182
1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 110967064
1-tert-butyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 110967063
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56813205
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-hydroxy-3-methylbenzoate
CID 30896186
[4-[[1-(2-methoxyphenyl)propa-1,2-dienylamino]methyl]-4-phenylcyclohexyl] N-(1-hydroxypropan-2-yl)carbamate
CID 176532275

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene?
The IUPAC name of N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene (CID 142271459) is N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene.
What is the SMILES notation for N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene?
The canonical SMILES for N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene is C=C.C=C(NCC1(c2ccccc2)CCC(C(C)(C)CC(C)(F)F)CC1)c1ccccc1C.CC.
What is the InChIKey of N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene?
The InChIKey is JHVINPQTYNDBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N.C2H6.C2H4/c1-21-11-9-10-14-25(21)22(2)31-20-28(24-12-7-6-8-13-24)17-15-23(16-18-28)26(3,4)19-27(5,29)30;2*1-2/h6-14,23,31H,2,15-20H2,1,3-5H3;1-2H3;1-2H2.
What are the key properties of N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene?
N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene has a molecular weight of 483.73 g/mol, XLogP of 9.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4,4-difluoro-2-methylpentan-2-yl)-1-phenylcyclohexyl]methyl]-1-(2-methylphenyl)ethenamine;ethane;ethene is sourced from PubChem (CID 142271459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).