N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine

C11H22ClNS — CID 106438262

IUPACN-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCC(C)=CCl)SC
InChIInChI=1S/C11H22ClNS/c1-5-11(6-2,14-4)9-13-8-10(3)7-12/h7,13H,5-6,8-9H2,1-4H3
InChIKeyCFBCUDFMGRAEHR-UHFFFAOYSA-N
MW235.82 g/mol
LogP3.64
Rot. Bonds7

About N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine

N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine (PubChem CID 106438262) has the molecular formula C11H22ClNS and a molecular weight of 235.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
PubChem CID106438262
Molecular FormulaC11H22ClNS
Molecular Weight235.82 g/mol
Exact Mass235.12
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCC(C)=CCl)SC
InChIInChI=1S/C11H22ClNS/c1-5-11(6-2,14-4)9-13-8-10(3)7-12/h7,13H,5-6,8-9H2,1-4H3
InChIKeyCFBCUDFMGRAEHR-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.82
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-methylidenebutyl)-2-methylsulfanylbutan-1-amine
CID 105818176
N-[(E)-3-chloroprop-2-enyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 105818220
N-(2,3-dichloroprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
CID 105818328
2-ethyl-N-(2-methylprop-2-enyl)-2-methylsulfanylbutan-1-amine
CID 105818369
N-[(E)-4-chlorobut-2-enyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 105818376
N-(2-chloroprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine
CID 105818464
2,3-dichloro-N-[(1-methylsulfanylcyclopentyl)methyl]prop-2-en-1-amine
CID 105819992
3-chloro-2-methyl-N-(3-methylsulfanylpropyl)prop-2-en-1-amine
CID 106437778
3-Chloro-2-methyl-N-[2-methyl-3-(methylsulfanyl)propyl]prop-2-en-1-amine
CID 106437779
3-chloro-2-methyl-N-[(2-methylthiolan-2-yl)methyl]prop-2-en-1-amine
CID 106437918
3-chloro-2-methyl-N-(2-methylsulfanylpropyl)prop-2-en-1-amine
CID 106438078
3-chloro-2-methyl-N-(2-methyl-2-methylsulfanylpropyl)prop-2-en-1-amine
CID 106438092

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine (CID 106438262) is N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCC(C)=CCl)SC.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine?
The InChIKey is CFBCUDFMGRAEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNS/c1-5-11(6-2,14-4)9-13-8-10(3)7-12/h7,13H,5-6,8-9H2,1-4H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine?
N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine has a molecular weight of 235.82 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-2-ethyl-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 106438262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).