N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine

C8H19NS — CID 142151631

IUPACN-ethyl-N-methyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CN(C)CC)SC
InChIInChI=1S/C8H19NS/c1-5-8(10-4)7-9(3)6-2/h8H,5-7H2,1-4H3
InChIKeyYELQSHJOPVXOFT-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine

N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine (PubChem CID 142151631) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-methylsulfanylbutan-1-amine
PubChem CID142151631
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-ethyl-N-methyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CN(C)CC)SC
InChIInChI=1S/C8H19NS/c1-5-8(10-4)7-9(3)6-2/h8H,5-7H2,1-4H3
InChIKeyYELQSHJOPVXOFT-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
ethane;N-ethyl-N,2-dimethylpropan-1-amine
CID 143400672
N',2-diethyl-N'-methylpropane-1,3-diamine;propane
CID 142151966
N-methyl-N-methylsulfanylbutan-2-amine
CID 123569080
(2R)-1-[ethyl(methyl)amino]propane-2-thiol
CID 134269969
N'-ethyl-N',2-dimethylpropane-1,3-diamine
CID 25219171
N-ethyl-2,3-difluoro-N-methylpropan-1-amine
CID 59154861
4-methylsulfanylhex-1-yne
CID 91601783
N'-ethyl-1-methoxy-N,N,N'-trimethylethane-1,2-diamine
CID 178173118
4-methylsulfanylhexan-2-one
CID 87313062
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
ethane;N-ethyl-2-methoxy-N-methylpropan-1-amine
CID 145315880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine?
The IUPAC name of N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine (CID 142151631) is N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine is CCC(CN(C)CC)SC.
What is the InChIKey of N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine?
The InChIKey is YELQSHJOPVXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-5-8(10-4)7-9(3)6-2/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine?
N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 142151631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).