1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline

C27H37NS — CID 144794623

IUPAC1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline
SMILESC=C(C)Cc1cc(C)c(N)cc1C.C=C(SC)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H20S.C12H17N/c1-12(16-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)5-11-6-10(4)12(13)7-9(11)3/h8-11,14H,1,3-7H2,2H3;6-7H,1,5,13H2,2-4H3
InChIKeyCROXEXKWGNVIPD-UHFFFAOYSA-N
MW407.67 g/mol
LogP8.07
Rot. Bonds5

About 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline

1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline (PubChem CID 144794623) has the molecular formula C27H37NS and a molecular weight of 407.67 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline
PubChem CID144794623
Molecular FormulaC27H37NS
Molecular Weight407.67 g/mol
Exact Mass407.26
IUPAC Name1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline
SMILESC=C(C)Cc1cc(C)c(N)cc1C.C=C(SC)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H20S.C12H17N/c1-12(16-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)5-11-6-10(4)12(13)7-9(11)3/h8-11,14H,1,3-7H2,2H3;6-7H,1,5,13H2,2-4H3
InChIKeyCROXEXKWGNVIPD-UHFFFAOYSA-N
XLogP8.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.67
LogP ≤ 58.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-[1-[(E)-4-methylhex-3-en-3-yl]sulfanylethenyl]benzene
CID 176970365
4-(4-cyclohexylphenyl)-2-methylaniline
CID 63424369
(E)-4-(4-cyclohexylphenyl)pent-3-en-1-amine
CID 82085289
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
1-cyclohexyl-4-(methylsulfanylmethyl)benzene
CID 59166778
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
2-(4-cyclohexylphenyl)-4-methylaniline
CID 63424368
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
4-cyclodecyl-2-methylphenol
CID 153407623
4-[1-[1-[3-amino-4-(methylsulfanylmethyl)phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 89265409
4-cyclopentylbenzenecarbothioamide
CID 83387162

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline?
The IUPAC name of 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline (CID 144794623) is 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline is C=C(C)Cc1cc(C)c(N)cc1C.C=C(SC)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline?
The InChIKey is CROXEXKWGNVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S.C12H17N/c1-12(16-2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-8(2)5-11-6-10(4)12(13)7-9(11)3/h8-11,14H,1,3-7H2,2H3;6-7H,1,5,13H2,2-4H3.
What are the key properties of 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline?
1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline has a molecular weight of 407.67 g/mol, XLogP of 8.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1-methylsulfanylethenyl)benzene;2,5-dimethyl-4-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 144794623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).