N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine

C9H15NS — CID 142099500

IUPACN-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine
SMILESC/C=N/C(C=C(C)C)=C\SC
InChIInChI=1S/C9H15NS/c1-5-10-9(7-11-4)6-8(2)3/h5-7H,1-4H3/b9-7-,10-5+
InChIKeyPENQEMCNUHXJNS-WRBIUVHKSA-N
MW169.29 g/mol
LogP3.25
Rot. Bonds3

About N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine

N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine (PubChem CID 142099500) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine
PubChem CID142099500
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine
SMILESC/C=N/C(C=C(C)C)=C\SC
InChIInChI=1S/C9H15NS/c1-5-10-9(7-11-4)6-8(2)3/h5-7H,1-4H3/b9-7-,10-5+
InChIKeyPENQEMCNUHXJNS-WRBIUVHKSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine (CID 142099500) is N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine is C/C=N/C(C=C(C)C)=C\SC.
What is the InChIKey of N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine?
The InChIKey is PENQEMCNUHXJNS-WRBIUVHKSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-10-9(7-11-4)6-8(2)3/h5-7H,1-4H3/b9-7-,10-5+.
What are the key properties of N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine?
N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine has a molecular weight of 169.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-4-methyl-1-methylsulfanylpenta-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 142099500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).