N-methylcyclohexanamine;2-methylsulfanylethanamine

C10H24N2S — CID 67768391

IUPACN-methylcyclohexanamine;2-methylsulfanylethanamine
SMILESCNC1CCCCC1.CSCCN
InChIInChI=1S/C7H15N.C3H9NS/c1-8-7-5-3-2-4-6-7;1-5-3-2-4/h7-8H,2-6H2,1H3;2-4H2,1H3
InChIKeyNIBDHJAHHSQCJZ-UHFFFAOYSA-N
MW204.38 g/mol
LogP1.85
Rot. Bonds3

About N-methylcyclohexanamine;2-methylsulfanylethanamine

N-methylcyclohexanamine;2-methylsulfanylethanamine (PubChem CID 67768391) has the molecular formula C10H24N2S and a molecular weight of 204.38 g/mol. Its IUPAC name is N-methylcyclohexanamine;2-methylsulfanylethanamine.

Molecular Properties

Compound NameN-methylcyclohexanamine;2-methylsulfanylethanamine
PubChem CID67768391
Molecular FormulaC10H24N2S
Molecular Weight204.38 g/mol
Exact Mass204.17
IUPAC NameN-methylcyclohexanamine;2-methylsulfanylethanamine
SMILESCNC1CCCCC1.CSCCN
InChIInChI=1S/C7H15N.C3H9NS/c1-8-7-5-3-2-4-6-7;1-5-3-2-4/h7-8H,2-6H2,1H3;2-4H2,1H3
InChIKeyNIBDHJAHHSQCJZ-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexanamine;2-methylsulfanylethanamine?
The IUPAC name of N-methylcyclohexanamine;2-methylsulfanylethanamine (CID 67768391) is N-methylcyclohexanamine;2-methylsulfanylethanamine.
What is the SMILES notation for N-methylcyclohexanamine;2-methylsulfanylethanamine?
The canonical SMILES for N-methylcyclohexanamine;2-methylsulfanylethanamine is CNC1CCCCC1.CSCCN.
What is the InChIKey of N-methylcyclohexanamine;2-methylsulfanylethanamine?
The InChIKey is NIBDHJAHHSQCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C3H9NS/c1-8-7-5-3-2-4-6-7;1-5-3-2-4/h7-8H,2-6H2,1H3;2-4H2,1H3.
What are the key properties of N-methylcyclohexanamine;2-methylsulfanylethanamine?
N-methylcyclohexanamine;2-methylsulfanylethanamine has a molecular weight of 204.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexanamine;2-methylsulfanylethanamine is sourced from PubChem (CID 67768391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).