(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine

C9H15NS — CID 172606836

IUPAC(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine
SMILESC=C(/N=C\C(=C)C(C)C)SC
InChIInChI=1S/C9H15NS/c1-7(2)8(3)6-10-9(4)11-5/h6-7H,3-4H2,1-2,5H3/b10-6-
InChIKeyRDNDHVFBFPVVJN-POHAHGRESA-N
MW169.29 g/mol
LogP3.10
Rot. Bonds4

About (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine

(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine (PubChem CID 172606836) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine.

Molecular Properties

Compound Name(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine
PubChem CID172606836
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine
SMILESC=C(/N=C\C(=C)C(C)C)SC
InChIInChI=1S/C9H15NS/c1-7(2)8(3)6-10-9(4)11-5/h6-7H,3-4H2,1-2,5H3/b10-6-
InChIKeyRDNDHVFBFPVVJN-POHAHGRESA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine?
The IUPAC name of (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine (CID 172606836) is (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine.
What is the SMILES notation for (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine?
The canonical SMILES for (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine is C=C(/N=C\C(=C)C(C)C)SC.
What is the InChIKey of (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine?
The InChIKey is RDNDHVFBFPVVJN-POHAHGRESA-N. The full InChI is InChI=1S/C9H15NS/c1-7(2)8(3)6-10-9(4)11-5/h6-7H,3-4H2,1-2,5H3/b10-6-.
What are the key properties of (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine?
(Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine has a molecular weight of 169.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-methylidene-N-(1-methylsulfanylethenyl)butan-1-imine is sourced from PubChem (CID 172606836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).