N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine

C11H23NS — CID 134559304

IUPACN-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine
SMILESC=NCCC(CC)(SC)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-7-11(13-6,8-9-12-5)10(2,3)4/h5,7-9H2,1-4,6H3
InChIKeyBYEHMQSRXLLLET-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.63
Rot. Bonds5

About N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine

N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine (PubChem CID 134559304) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine.

Molecular Properties

Compound NameN-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine
PubChem CID134559304
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine
SMILESC=NCCC(CC)(SC)C(C)(C)C
InChIInChI=1S/C11H23NS/c1-7-11(13-6,8-9-12-5)10(2,3)4/h5,7-9H2,1-4,6H3
InChIKeyBYEHMQSRXLLLET-UHFFFAOYSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-3-methylhexyl)methanimine
CID 174298399
2-methylsulfanylbutane-2-thiol
CID 89333098
2,2-bis(methylsulfanyl)butane
CID 90995794
3-methyl-3-methylsulfanylhexane
CID 91501828
N-ethylmethanimine
CID 535674
2-methyl-2-[(methylideneamino)methyl]butan-1-amine
CID 163789947
2,2,3-trimethyl-3-(2,2,3-trimethylpentan-3-yldisulfanyl)pentane
CID 141460643
2-methoxy-2-methylsulfanylbutane
CID 123157365
N-(2-ethoxyethyl)methanimine
CID 118258620
1,1-bis(methylsulfanyl)propane-1-thiol
CID 174923915
2-methyl-1-(methylideneamino)hexan-2-amine
CID 134424167
N-(2-methylbutan-2-yl)-N-propylthiohydroxylamine
CID 87241132

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine?
The IUPAC name of N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine (CID 134559304) is N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine.
What is the SMILES notation for N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine?
The canonical SMILES for N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine is C=NCCC(CC)(SC)C(C)(C)C.
What is the InChIKey of N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine?
The InChIKey is BYEHMQSRXLLLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-7-11(13-6,8-9-12-5)10(2,3)4/h5,7-9H2,1-4,6H3.
What are the key properties of N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine?
N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine has a molecular weight of 201.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4,4-dimethyl-3-methylsulfanylpentyl)methanimine is sourced from PubChem (CID 134559304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).