2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine

C15H31NS — CID 55196497

IUPAC2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)SC1CCCC(C)C1
InChIInChI=1S/C15H31NS/c1-6-15(4,5)16-11-13(3)17-14-9-7-8-12(2)10-14/h12-14,16H,6-11H2,1-5H3
InChIKeyXMJOYVYPCXNVOB-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.47
Rot. Bonds6

About 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine

2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine (PubChem CID 55196497) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine
PubChem CID55196497
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)SC1CCCC(C)C1
InChIInChI=1S/C15H31NS/c1-6-15(4,5)16-11-13(3)17-14-9-7-8-12(2)10-14/h12-14,16H,6-11H2,1-5H3
InChIKeyXMJOYVYPCXNVOB-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylcyclohexyl)sulfanyl-N-propylpentan-2-amine
CID 64704078
N-(3-methoxypropyl)-2-(3-methylcyclohexyl)sulfanylpropan-1-amine
CID 62722834
2-methyl-4-(3-methylcyclohexyl)sulfanyl-2-(propan-2-ylamino)pentanenitrile
CID 64711558
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)sulfanylpentanenitrile
CID 64711751
methyl 3-(3-methylcyclohexyl)sulfanylbutanoate
CID 62722596
4-(3-methylcyclohexyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 62723006
N-(2-cyclopentylsulfanylpropyl)butan-2-amine
CID 63115777
4,4,4-trifluoro-3-(3-methylcyclohexyl)sulfanylbutanoic acid
CID 63100018
N-ethyl-1-(3-methylcyclohexyl)sulfanylpentan-2-amine
CID 64632799
2-(ethylamino)-2-methyl-3-(3-methylcyclohexyl)sulfanylpropanoic acid
CID 55111510
4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
N-(2-cyclohexylsulfanylpropyl)pentan-1-amine
CID 62582254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine (CID 55196497) is 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine is CCC(C)(C)NCC(C)SC1CCCC(C)C1.
What is the InChIKey of 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine?
The InChIKey is XMJOYVYPCXNVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-6-15(4,5)16-11-13(3)17-14-9-7-8-12(2)10-14/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine?
2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine has a molecular weight of 257.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylcyclohexyl)sulfanylpropyl]butan-2-amine is sourced from PubChem (CID 55196497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).