N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine

C12H25NS — CID 64776056

IUPACN-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
SMILESCCNC(CSC)C1CCC(C)CC1
InChIInChI=1S/C12H25NS/c1-4-13-12(9-14-3)11-7-5-10(2)6-8-11/h10-13H,4-9H2,1-3H3
InChIKeyXZAPHUVYORDQDZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds5

About N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine

N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine (PubChem CID 64776056) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
PubChem CID64776056
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
SMILESCCNC(CSC)C1CCC(C)CC1
InChIInChI=1S/C12H25NS/c1-4-13-12(9-14-3)11-7-5-10(2)6-8-11/h10-13H,4-9H2,1-3H3
InChIKeyXZAPHUVYORDQDZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)but-3-yn-1-amine
CID 62233351
2-butan-2-ylsulfanyl-1-cyclopropyl-N-ethylethanamine
CID 64614042
N-ethyl-2-(4-ethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415397
2-(3-ethoxycyclobutyl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 103168792
2-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 104755000
N-ethyl-1-(4-methylcyclohexyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63415653
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64775854
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
N-methyl-1-(4-methylcyclohexyl)-2-propylsulfanylethanamine
CID 65128562
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105154521
1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 115770001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine (CID 64776056) is N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine is CCNC(CSC)C1CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
The InChIKey is XZAPHUVYORDQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-13-12(9-14-3)11-7-5-10(2)6-8-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 64776056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).