N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine

C9H15NS — CID 155449802

IUPACN-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine
SMILESC=N/C=C\SCC(=C)C(C)C
InChIInChI=1S/C9H15NS/c1-8(2)9(3)7-11-6-5-10-4/h5-6,8H,3-4,7H2,1-2H3/b6-5-
InChIKeyGTKIRKVYOMAJPI-WAYWQWQTSA-N
MW169.29 g/mol
LogP3.10
Rot. Bonds5

About N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine

N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine (PubChem CID 155449802) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine
PubChem CID155449802
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine
SMILESC=N/C=C\SCC(=C)C(C)C
InChIInChI=1S/C9H15NS/c1-8(2)9(3)7-11-6-5-10-4/h5-6,8H,3-4,7H2,1-2H3/b6-5-
InChIKeyGTKIRKVYOMAJPI-WAYWQWQTSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine?
The IUPAC name of N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine (CID 155449802) is N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine is C=N/C=C\SCC(=C)C(C)C.
What is the InChIKey of N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine?
The InChIKey is GTKIRKVYOMAJPI-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H15NS/c1-8(2)9(3)7-11-6-5-10-4/h5-6,8H,3-4,7H2,1-2H3/b6-5-.
What are the key properties of N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine?
N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine has a molecular weight of 169.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine is sourced from PubChem (CID 155449802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).