2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine

C12H23NS — CID 130934187

IUPAC2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine
SMILESCSC1CCC1NC1CCCCC1C
InChIInChI=1S/C12H23NS/c1-9-5-3-4-6-10(9)13-11-7-8-12(11)14-2/h9-13H,3-8H2,1-2H3
InChIKeyKNIBZQOAGNUKKV-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds3

About 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine

2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine (PubChem CID 130934187) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine
PubChem CID130934187
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine
SMILESCSC1CCC1NC1CCCCC1C
InChIInChI=1S/C12H23NS/c1-9-5-3-4-6-10(9)13-11-7-8-12(11)14-2/h9-13H,3-8H2,1-2H3
InChIKeyKNIBZQOAGNUKKV-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine (CID 130934187) is 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine is CSC1CCC1NC1CCCCC1C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine?
The InChIKey is KNIBZQOAGNUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9-5-3-4-6-10(9)13-11-7-8-12(11)14-2/h9-13H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine?
2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylsulfanylcyclobutyl)cyclohexan-1-amine is sourced from PubChem (CID 130934187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).