N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine

C8H15NS — CID 139299399

IUPACN-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
SMILESC=N/C(=C\SC)CC(C)C
InChIInChI=1S/C8H15NS/c1-7(2)5-8(9-3)6-10-4/h6-7H,3,5H2,1-2,4H3/b8-6-
InChIKeyCCUAIQAUFZMLQD-VURMDHGXSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds4

About N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine

N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine (PubChem CID 139299399) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
PubChem CID139299399
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC NameN-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
SMILESC=N/C(=C\SC)CC(C)C
InChIInChI=1S/C8H15NS/c1-7(2)5-8(9-3)6-10-4/h6-7H,3,5H2,1-2,4H3/b8-6-
InChIKeyCCUAIQAUFZMLQD-VURMDHGXSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine (CID 139299399) is N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine is C=N/C(=C\SC)CC(C)C.
What is the InChIKey of N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine?
The InChIKey is CCUAIQAUFZMLQD-VURMDHGXSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)5-8(9-3)6-10-4/h6-7H,3,5H2,1-2,4H3/b8-6-.
What are the key properties of N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine?
N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine has a molecular weight of 157.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine is sourced from PubChem (CID 139299399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).