5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine

C12H27NS — CID 115725988

IUPAC5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine
SMILESCSC(C)(C)CNC(C)CCC(C)C
InChIInChI=1S/C12H27NS/c1-10(2)7-8-11(3)13-9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyOCLZRKAZEBKBFY-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.54
Rot. Bonds7

About 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine

5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine (PubChem CID 115725988) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine
PubChem CID115725988
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Name5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine
SMILESCSC(C)(C)CNC(C)CCC(C)C
InChIInChI=1S/C12H27NS/c1-10(2)7-8-11(3)13-9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3
InChIKeyOCLZRKAZEBKBFY-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-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

methyl 2,2-dimethyl-3-(5-methylhexan-2-ylamino)propanoate
CID 79624794
N-ethyl-5-methylhexan-2-amine
CID 24689543
N-(1-cyclopentylethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726039
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)hexan-2-amine
CID 43202156
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115726027
5-methyl-N-(1-methylsulfanylpropan-2-yl)hexan-2-amine
CID 115721803
(2R)-1-[[(2S)-5-methylhexan-2-yl]amino]propan-2-ol
CID 93081921
1-(2-methyl-2-methylsulfanylpropyl)-3-(2-methylpropyl)thiourea
CID 115662944
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
2-[1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]naphthalen-1-ol
CID 104582863
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
(2S)-5-methyl-N-[(2S)-3-methylbutan-2-yl]hexan-2-amine
CID 29036853

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine?
The IUPAC name of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine (CID 115725988) is 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine is CSC(C)(C)CNC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine?
The InChIKey is OCLZRKAZEBKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-10(2)7-8-11(3)13-9-12(4,5)14-6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine?
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine has a molecular weight of 217.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-methylsulfanylpropyl)hexan-2-amine is sourced from PubChem (CID 115725988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).