1-(4-methylcyclohexyl)-2-methylsulfanylethanamine

C10H21NS — CID 64775854

IUPAC1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCC(C)CC1
InChIInChI=1S/C10H21NS/c1-8-3-5-9(6-4-8)10(11)7-12-2/h8-10H,3-7,11H2,1-2H3
InChIKeySIMNRFFJPISCPN-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.50
Rot. Bonds3

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

1-(4-methylcyclohexyl)-2-methylsulfanylethanamine (PubChem CID 64775854) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
PubChem CID64775854
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1CCC(C)CC1
InChIInChI=1S/C10H21NS/c1-8-3-5-9(6-4-8)10(11)7-12-2/h8-10H,3-7,11H2,1-2H3
InChIKeySIMNRFFJPISCPN-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-methylsulfanylethanamine
CID 62691520
(1S)-3,3,3-trifluoro-1-(4-methylcyclohexyl)propan-1-amine
CID 104941345
1-(4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575191
4,4-dimethyl-1-(4-methylcyclohexyl)pentan-1-amine
CID 63415730
N',N'-dimethyl-1-(4-methylcyclohexyl)propane-1,3-diamine
CID 115346071
1-(1-methylpyrrolidin-3-yl)-2-methylsulfanylethanamine
CID 117237518
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
1-(4-methylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 62604163
amino-(4-methylcyclohexyl)methanol
CID 89201512
N-methyl-1-(4-methylcyclohexyl)-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658601
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215449

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine (CID 64775854) is 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine is CSCC(N)C1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
The InChIKey is SIMNRFFJPISCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-8-3-5-9(6-4-8)10(11)7-12-2/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine?
1-(4-methylcyclohexyl)-2-methylsulfanylethanamine has a molecular weight of 187.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 64775854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).