N-methylbutan-1-amine;methylsulfanylethane

C8H21NS — CID 153330629

IUPACN-methylbutan-1-amine;methylsulfanylethane
SMILESCCCCNC.CCSC
InChIInChI=1S/C5H13N.C3H8S/c1-3-4-5-6-2;1-3-4-2/h6H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyORWCIHUFWZADNH-UHFFFAOYSA-N
MW163.33 g/mol
LogP2.38
Rot. Bonds4

About N-methylbutan-1-amine;methylsulfanylethane

N-methylbutan-1-amine;methylsulfanylethane (PubChem CID 153330629) has the molecular formula C8H21NS and a molecular weight of 163.33 g/mol. Its IUPAC name is N-methylbutan-1-amine;methylsulfanylethane.

Molecular Properties

Compound NameN-methylbutan-1-amine;methylsulfanylethane
PubChem CID153330629
Molecular FormulaC8H21NS
Molecular Weight163.33 g/mol
Exact Mass163.14
IUPAC NameN-methylbutan-1-amine;methylsulfanylethane
SMILESCCCCNC.CCSC
InChIInChI=1S/C5H13N.C3H8S/c1-3-4-5-6-2;1-3-4-2/h6H,3-5H2,1-2H3;3H2,1-2H3
InChIKeyORWCIHUFWZADNH-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 52.38
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

N-methylbutan-1-amine
CID 8068
ethane;N-methylbutan-1-amine;propane
CID 142092371
ethane;N-methylbutan-1-amine;N-methylethanamine
CID 162138927
bromomethane;deuterium monohydride;N-methylbutan-1-amine
CID 158856425
N-methyltriacontan-1-amine
CID 19840895
3-butylsulfanyl-N-methylpropan-1-amine
CID 22163545
N-methylbutan-1-amine;trimethoxysilane
CID 173013927
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methyl-4-pentylsulfanylbutan-1-amine
CID 107757081
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
N-methyl-5-methylsulfanylpentan-1-amine
CID 58719975

Frequently Asked Questions

What is the IUPAC name of N-methylbutan-1-amine;methylsulfanylethane?
The IUPAC name of N-methylbutan-1-amine;methylsulfanylethane (CID 153330629) is N-methylbutan-1-amine;methylsulfanylethane.
What is the SMILES notation for N-methylbutan-1-amine;methylsulfanylethane?
The canonical SMILES for N-methylbutan-1-amine;methylsulfanylethane is CCCCNC.CCSC.
What is the InChIKey of N-methylbutan-1-amine;methylsulfanylethane?
The InChIKey is ORWCIHUFWZADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3H8S/c1-3-4-5-6-2;1-3-4-2/h6H,3-5H2,1-2H3;3H2,1-2H3.
What are the key properties of N-methylbutan-1-amine;methylsulfanylethane?
N-methylbutan-1-amine;methylsulfanylethane has a molecular weight of 163.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbutan-1-amine;methylsulfanylethane is sourced from PubChem (CID 153330629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).