N-(3-methylbutyl)-2-methylsulfanylethenimine

C8H15NS — CID 123331007

IUPACN-(3-methylbutyl)-2-methylsulfanylethenimine
SMILESCSC=C=NCCC(C)C
InChIInChI=1S/C8H15NS/c1-8(2)4-5-9-6-7-10-3/h7-8H,4-5H2,1-3H3
InChIKeyOSWRXZMIZFNMFQ-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.58
Rot. Bonds4

About N-(3-methylbutyl)-2-methylsulfanylethenimine

N-(3-methylbutyl)-2-methylsulfanylethenimine (PubChem CID 123331007) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-methylsulfanylethenimine.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-methylsulfanylethenimine
PubChem CID123331007
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-(3-methylbutyl)-2-methylsulfanylethenimine
SMILESCSC=C=NCCC(C)C
InChIInChI=1S/C8H15NS/c1-8(2)4-5-9-6-7-10-3/h7-8H,4-5H2,1-3H3
InChIKeyOSWRXZMIZFNMFQ-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-methylsulfanylethenimine?
The IUPAC name of N-(3-methylbutyl)-2-methylsulfanylethenimine (CID 123331007) is N-(3-methylbutyl)-2-methylsulfanylethenimine.
What is the SMILES notation for N-(3-methylbutyl)-2-methylsulfanylethenimine?
The canonical SMILES for N-(3-methylbutyl)-2-methylsulfanylethenimine is CSC=C=NCCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-2-methylsulfanylethenimine?
The InChIKey is OSWRXZMIZFNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-8(2)4-5-9-6-7-10-3/h7-8H,4-5H2,1-3H3.
What are the key properties of N-(3-methylbutyl)-2-methylsulfanylethenimine?
N-(3-methylbutyl)-2-methylsulfanylethenimine has a molecular weight of 157.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-methylsulfanylethenimine is sourced from PubChem (CID 123331007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).