2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine

C8H19NS — CID 62581186

IUPAC2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine
SMILESCSC(C)CNCC(C)C
InChIInChI=1S/C8H19NS/c1-7(2)5-9-6-8(3)10-4/h7-9H,5-6H2,1-4H3
InChIKeyJUQXNTQEVQIXIL-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.98
Rot. Bonds5

About 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine

2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine (PubChem CID 62581186) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine
PubChem CID62581186
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine
SMILESCSC(C)CNCC(C)C
InChIInChI=1S/C8H19NS/c1-7(2)5-9-6-8(3)10-4/h7-9H,5-6H2,1-4H3
InChIKeyJUQXNTQEVQIXIL-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-2-isopropylthiazolidine
CID 15751859
Methyl[2-(methylsulfanyl)propyl]amine
CID 62579559
1,5-Diaza-8-thia-nonane
CID 11252097
1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 21576654
Di(butylaminoethyl)sulfide
CID 21150250
(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
CID 134995244
N'-(2-propan-2-ylsulfanylethyl)propane-1,3-diamine
CID 11367311
2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62576950
2-methyl-3-methylsulfanyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 64553357
N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 80693882
N-(3-fluoropropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 81106701
4,4,4-trifluoro-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 115513724

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine (CID 62581186) is 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine is CSC(C)CNCC(C)C.
What is the InChIKey of 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine?
The InChIKey is JUQXNTQEVQIXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-7(2)5-9-6-8(3)10-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine?
2-methyl-N-(2-methylsulfanylpropyl)propan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 1.98, 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-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 62581186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).