2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine

C11H25NS — CID 107757295

IUPAC2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCC(C)CNCCSC(C)C(C)C
InChIInChI=1S/C11H25NS/c1-9(2)8-12-6-7-13-11(5)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyRURFFDZBUOYMOR-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.01
Rot. Bonds7

About 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine

2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine (PubChem CID 107757295) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
PubChem CID107757295
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
SMILESCC(C)CNCCSC(C)C(C)C
InChIInChI=1S/C11H25NS/c1-9(2)8-12-6-7-13-11(5)10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyRURFFDZBUOYMOR-UHFFFAOYSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.01
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

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3-(Tert-butylsulfanyl)pyrrolidine
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1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
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1,4,8-Trithia-11-azacyclotetradecane
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(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
CID 134995244
N'-(2-propylsulfanylethyl)propane-1,3-diamine
CID 11240782
2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62576950
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CID 62577359

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine (CID 107757295) is 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine is CC(C)CNCCSC(C)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
The InChIKey is RURFFDZBUOYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-9(2)8-12-6-7-13-11(5)10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine?
2-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.01, 7 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-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 107757295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).