2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine

C9H21NS — CID 115876651

IUPAC2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCC(C)C
InChIInChI=1S/C9H21NS/c1-8(2)6-10-7-9(3,4)11-5/h8,10H,6-7H2,1-5H3
InChIKeyFIMQDQXBDWKPRR-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.37
Rot. Bonds5

About 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine

2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine (PubChem CID 115876651) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine
PubChem CID115876651
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCC(C)C
InChIInChI=1S/C9H21NS/c1-8(2)6-10-7-9(3,4)11-5/h8,10H,6-7H2,1-5H3
InChIKeyFIMQDQXBDWKPRR-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-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

CID 134995244
CID 134995244
CID 80693882
CID 80693882
CID 81106701
CID 81106701
CID 116137630
CID 116137630
CID 116137894
CID 116137894
CID 116138000
CID 116138000
CID 15066865
CID 15066865
CID 20343067
CID 20343067
CID 20545834
CID 20545834
CID 21041443
CID 21041443
CID 22722754
CID 22722754
CID 25098916
CID 25098916

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine (CID 115876651) is 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine?
The InChIKey is FIMQDQXBDWKPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-8(2)6-10-7-9(3,4)11-5/h8,10H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine?
2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115876651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).