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

C12H27NS — CID 107757318

IUPAC3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCSC(C)C(C)C
InChIInChI=1S/C12H27NS/c1-9(2)11(5)13-7-8-14-12(6)10(3)4/h9-13H,7-8H2,1-6H3
InChIKeyIOFYKXAXWVNVFD-UHFFFAOYSA-N
MW217.42 g/mol
LogP3.40
Rot. Bonds7

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

3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine (PubChem CID 107757318) has the molecular formula C12H27NS and a molecular weight of 217.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine
PubChem CID107757318
Molecular FormulaC12H27NS
Molecular Weight217.42 g/mol
Exact Mass217.19
IUPAC Name3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCSC(C)C(C)C
InChIInChI=1S/C12H27NS/c1-9(2)11(5)13-7-8-14-12(6)10(3)4/h9-13H,7-8H2,1-6H3
InChIKeyIOFYKXAXWVNVFD-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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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Launch Full Analysis

Related Compounds

1-cyclopropyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethanamine
CID 107757275
4-(3-methylbutan-2-ylsulfanyl)-N-propylbutan-2-amine
CID 107763350
N',N'-dimethyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]ethane-1,2-diamine
CID 107757315
3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
CID 115721446
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-butyl-3,4,5,6-tetramethylheptan-2-amine
CID 91139957
3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62580844
3-methyl-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]butan-2-amine
CID 62582326
4-ethoxy-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-1-amine
CID 107757302
3-(3-methylbutan-2-ylamino)propanenitrile
CID 43183200
2-(4-bromobutylsulfanyl)-3-methylbutane
CID 107746902
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine (CID 107757318) is 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine is CC(C)C(C)NCCSC(C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine?
The InChIKey is IOFYKXAXWVNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NS/c1-9(2)11(5)13-7-8-14-12(6)10(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine?
3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine has a molecular weight of 217.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylbutan-2-ylsulfanyl)ethyl]butan-2-amine is sourced from PubChem (CID 107757318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).