2-methyl-2-methylsulfanylcyclohexan-1-amine

C8H17NS — CID 12770134

IUPAC2-methyl-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1(C)CCCCC1N
InChIInChI=1S/C8H17NS/c1-8(10-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKeyGOVMONLYHZKLGY-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-2-methylsulfanylcyclohexan-1-amine

2-methyl-2-methylsulfanylcyclohexan-1-amine (PubChem CID 12770134) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylcyclohexan-1-amine
PubChem CID12770134
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-methyl-2-methylsulfanylcyclohexan-1-amine
SMILESCSC1(C)CCCCC1N
InChIInChI=1S/C8H17NS/c1-8(10-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3
InChIKeyGOVMONLYHZKLGY-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfanylcyclohexan-1-amine (CID 12770134) is 2-methyl-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfanylcyclohexan-1-amine is CSC1(C)CCCCC1N.
What is the InChIKey of 2-methyl-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is GOVMONLYHZKLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(10-2)6-4-3-5-7(8)9/h7H,3-6,9H2,1-2H3.
What are the key properties of 2-methyl-2-methylsulfanylcyclohexan-1-amine?
2-methyl-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 12770134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).