N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine

C18H29NS — CID 64735986

IUPACN-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1SCc1cccc(C)c1
InChIInChI=1S/C18H29NS/c1-5-19-17-11-14(3)9-15(4)18(17)20-12-16-8-6-7-13(2)10-16/h6-8,10,14-15,17-19H,5,9,11-12H2,1-4H3
InChIKeyVNIUPYRRFNCIEI-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.64
Rot. Bonds5

About N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine

N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine (PubChem CID 64735986) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
PubChem CID64735986
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1SCc1cccc(C)c1
InChIInChI=1S/C18H29NS/c1-5-19-17-11-14(3)9-15(4)18(17)20-12-16-8-6-7-13(2)10-16/h6-8,10,14-15,17-19H,5,9,11-12H2,1-4H3
InChIKeyVNIUPYRRFNCIEI-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634179
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 104859744
2-benzylsulfanyl-3,5-dimethylcyclohexan-1-amine
CID 64735775
3-[(3-methylphenyl)methylsulfanyl]-N-propylcyclohexan-1-amine
CID 64722014
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734811
N-ethyl-3,5-dimethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexan-1-amine
CID 64735978
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
2-[(3-methylphenyl)methylsulfanyl]cyclohexane-1-carboxylic acid
CID 63098103
N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]cyclopentanamine
CID 55112789
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine (CID 64735986) is N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine is CCNC1CC(C)CC(C)C1SCc1cccc(C)c1.
What is the InChIKey of N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
The InChIKey is VNIUPYRRFNCIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-5-19-17-11-14(3)9-15(4)18(17)20-12-16-8-6-7-13(2)10-16/h6-8,10,14-15,17-19H,5,9,11-12H2,1-4H3.
What are the key properties of N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine?
N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 64735986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).