2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine

C10H23NS — CID 115899950

IUPAC2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
SMILESCCC(C)CNC(CC)CSC
InChIInChI=1S/C10H23NS/c1-5-9(3)7-11-10(6-2)8-12-4/h9-11H,5-8H2,1-4H3
InChIKeyOLOGFIVRMKETPJ-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds7

About 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine

2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine (PubChem CID 115899950) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
PubChem CID115899950
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
SMILESCCC(C)CNC(CC)CSC
InChIInChI=1S/C10H23NS/c1-5-9(3)7-11-10(6-2)8-12-4/h9-11H,5-8H2,1-4H3
InChIKeyOLOGFIVRMKETPJ-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutylamino)propane-1,3-diol
CID 65312864
2,6-dimethyl-N-(2-methylbutyl)heptan-4-amine
CID 63477692
(2R)-2-methyl-N-propan-2-ylbutan-1-amine
CID 28610226
N,2-dimethyl-N'-pentan-3-ylpropane-1,3-diamine
CID 115303228
2-methyl-N-pentan-3-ylpentan-1-amine
CID 43204323
3-methoxy-3-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine
CID 103033623
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfanylbutan-2-amine
CID 106438115
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
1-(2-methoxyethoxy)-3-(1-methylsulfanylbutan-2-ylamino)propan-2-ol
CID 106990546
tert-butyl N-[3-methyl-2-[(1-methylsulfanylbutan-2-ylamino)methyl]butyl]carbamate
CID 107442788
N-(1-chloropropan-2-yl)-2-methylbutan-1-amine
CID 65025334
N-(1,3-diphenylpropan-2-yl)-2-methylbutan-1-amine
CID 63478564

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine (CID 115899950) is 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine is CCC(C)CNC(CC)CSC.
What is the InChIKey of 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
The InChIKey is OLOGFIVRMKETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-9(3)7-11-10(6-2)8-12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine?
2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylsulfanylbutan-2-yl)butan-1-amine is sourced from PubChem (CID 115899950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).