N,2-dimethyl-N-methylsulfanylbutan-2-amine

C7H17NS — CID 168917994

IUPACN,2-dimethyl-N-methylsulfanylbutan-2-amine
SMILESCCC(C)(C)N(C)SC
InChIInChI=1S/C7H17NS/c1-6-7(2,3)8(4)9-5/h6H2,1-5H3
InChIKeyVTVWATRTAIGIJK-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.38
Rot. Bonds3

About N,2-dimethyl-N-methylsulfanylbutan-2-amine

N,2-dimethyl-N-methylsulfanylbutan-2-amine (PubChem CID 168917994) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is N,2-dimethyl-N-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-methylsulfanylbutan-2-amine
PubChem CID168917994
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC NameN,2-dimethyl-N-methylsulfanylbutan-2-amine
SMILESCCC(C)(C)N(C)SC
InChIInChI=1S/C7H17NS/c1-6-7(2,3)8(4)9-5/h6H2,1-5H3
InChIKeyVTVWATRTAIGIJK-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-iodo-N,2-dimethylbutan-2-amine
CID 154548440
N-tert-butyl-N-ethyl-2-methylbutan-2-amine
CID 149170814
N,4-dimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 170075954
N,N-bis[2-methylbutan-2-yl(oxido)amino]methanamine
CID 163431704
CID 101012974
CID 101012974
N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
CID 123293634
ethane;propane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 171506447
N,2,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 88871230
2,2-bis(methylsulfanyl)butane
CID 90995794
4-ethyl-N,N,2,4-tetramethylhexan-2-amine
CID 134476921
(2S)-2-(dimethylamino)-2-methylbutan-1-ol
CID 130124788
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-methylsulfanylbutan-2-amine?
The IUPAC name of N,2-dimethyl-N-methylsulfanylbutan-2-amine (CID 168917994) is N,2-dimethyl-N-methylsulfanylbutan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-methylsulfanylbutan-2-amine?
The canonical SMILES for N,2-dimethyl-N-methylsulfanylbutan-2-amine is CCC(C)(C)N(C)SC.
What is the InChIKey of N,2-dimethyl-N-methylsulfanylbutan-2-amine?
The InChIKey is VTVWATRTAIGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-6-7(2,3)8(4)9-5/h6H2,1-5H3.
What are the key properties of N,2-dimethyl-N-methylsulfanylbutan-2-amine?
N,2-dimethyl-N-methylsulfanylbutan-2-amine has a molecular weight of 147.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-methylsulfanylbutan-2-amine is sourced from PubChem (CID 168917994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).