N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine

C10H21NS — CID 166976389

IUPACN-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine
SMILESCNCC1(CSC)CCCCC1
InChIInChI=1S/C10H21NS/c1-11-8-10(9-12-2)6-4-3-5-7-10/h11H,3-9H2,1-2H3
InChIKeyJSANBYHSADAOEI-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine

N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine (PubChem CID 166976389) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine
PubChem CID166976389
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine
SMILESCNCC1(CSC)CCCCC1
InChIInChI=1S/C10H21NS/c1-11-8-10(9-12-2)6-4-3-5-7-10/h11H,3-9H2,1-2H3
InChIKeyJSANBYHSADAOEI-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine (CID 166976389) is N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine is CNCC1(CSC)CCCCC1.
What is the InChIKey of N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine?
The InChIKey is JSANBYHSADAOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-11-8-10(9-12-2)6-4-3-5-7-10/h11H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine?
N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(methylsulfanylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 166976389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).