[4-(methylsulfanylmethyl)cyclohexyl]methanamine

C9H19NS — CID 123403694

IUPAC[4-(methylsulfanylmethyl)cyclohexyl]methanamine
SMILESCSCC1CCC(CN)CC1
InChIInChI=1S/C9H19NS/c1-11-7-9-4-2-8(6-10)3-5-9/h8-9H,2-7,10H2,1H3
InChIKeyLTQXDGIDGUIDKP-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.11
Rot. Bonds3

About [4-(methylsulfanylmethyl)cyclohexyl]methanamine

[4-(methylsulfanylmethyl)cyclohexyl]methanamine (PubChem CID 123403694) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is [4-(methylsulfanylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(methylsulfanylmethyl)cyclohexyl]methanamine
PubChem CID123403694
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name[4-(methylsulfanylmethyl)cyclohexyl]methanamine
SMILESCSCC1CCC(CN)CC1
InChIInChI=1S/C9H19NS/c1-11-7-9-4-2-8(6-10)3-5-9/h8-9H,2-7,10H2,1H3
InChIKeyLTQXDGIDGUIDKP-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(methylsulfanylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4-(methylsulfanylmethyl)cyclohexyl]methanamine (CID 123403694) is [4-(methylsulfanylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(methylsulfanylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-(methylsulfanylmethyl)cyclohexyl]methanamine is CSCC1CCC(CN)CC1.
What is the InChIKey of [4-(methylsulfanylmethyl)cyclohexyl]methanamine?
The InChIKey is LTQXDGIDGUIDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-11-7-9-4-2-8(6-10)3-5-9/h8-9H,2-7,10H2,1H3.
What are the key properties of [4-(methylsulfanylmethyl)cyclohexyl]methanamine?
[4-(methylsulfanylmethyl)cyclohexyl]methanamine has a molecular weight of 173.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylsulfanylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 123403694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).