N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine

C11H23NS — CID 62720477

IUPACN-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
SMILESCNCCCSC1CCCC(C)C1
InChIInChI=1S/C11H23NS/c1-10-5-3-6-11(9-10)13-8-4-7-12-2/h10-12H,3-9H2,1-2H3
InChIKeyYNGNAWMUHIPDIH-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds5

About N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine

N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine (PubChem CID 62720477) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
PubChem CID62720477
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine
SMILESCNCCCSC1CCCC(C)C1
InChIInChI=1S/C11H23NS/c1-10-5-3-6-11(9-10)13-8-4-7-12-2/h10-12H,3-9H2,1-2H3
InChIKeyYNGNAWMUHIPDIH-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
5-(3-methylcyclohexyl)sulfanylpentan-1-amine
CID 62721729
4-cyclopentylsulfanyl-N-methylbutan-1-amine
CID 63115700
N-(2-methoxyethyl)-4-(3-methylcyclohexyl)sulfanylbutan-1-amine
CID 55111698
N-[2-(3-methylcyclohexyl)sulfanylethyl]prop-2-en-1-amine
CID 62720497
2-cyclohexylsulfanyl-N-methylethanamine
CID 46741497
2-methyl-2-(methylamino)-6-(3-methylcyclohexyl)sulfanylhexanamide
CID 62720840
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexanoic acid
CID 63466029
2-methyl-6-(3-methylcyclohexyl)sulfanyl-2-(propylamino)hexan-1-ol
CID 64807359
2-methyl-5-(3-methylcyclohexyl)sulfanyl-2-(propylamino)pentanenitrile
CID 55111275
N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 62720496
3-(3-methylcyclohexyl)sulfanylpropanamide
CID 62721555

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine (CID 62720477) is N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine is CNCCCSC1CCCC(C)C1.
What is the InChIKey of N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine?
The InChIKey is YNGNAWMUHIPDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10-5-3-6-11(9-10)13-8-4-7-12-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine?
N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylcyclohexyl)sulfanylpropan-1-amine is sourced from PubChem (CID 62720477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).