N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine

C9H19NS — CID 131187913

IUPACN-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine
SMILESCNC1CCC(CSC)CC1
InChIInChI=1S/C9H19NS/c1-10-9-5-3-8(4-6-9)7-11-2/h8-10H,3-7H2,1-2H3
InChIKeySZENUKZBPAALLE-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds3

About N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine

N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine (PubChem CID 131187913) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine
PubChem CID131187913
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine
SMILESCNC1CCC(CSC)CC1
InChIInChI=1S/C9H19NS/c1-10-9-5-3-8(4-6-9)7-11-2/h8-10H,3-7H2,1-2H3
InChIKeySZENUKZBPAALLE-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine (CID 131187913) is N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine is CNC1CCC(CSC)CC1.
What is the InChIKey of N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine?
The InChIKey is SZENUKZBPAALLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-10-9-5-3-8(4-6-9)7-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine?
N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfanylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 131187913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).