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

C11H19NS — CID 143053901

IUPACN-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine
SMILESC/C=N/C(=C\SC)/C=C(\C)CCC
InChIInChI=1S/C11H19NS/c1-5-7-10(3)8-11(9-13-4)12-6-2/h6,8-9H,5,7H2,1-4H3/b10-8+,11-9-,12-6+
InChIKeyZRDKJCGVMCJYBY-AROIKDLCSA-N
MW197.35 g/mol
LogP4.03
Rot. Bonds5

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

N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine (PubChem CID 143053901) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine
PubChem CID143053901
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC NameN-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine
SMILESC/C=N/C(=C\SC)/C=C(\C)CCC
InChIInChI=1S/C11H19NS/c1-5-7-10(3)8-11(9-13-4)12-6-2/h6,8-9H,5,7H2,1-4H3/b10-8+,11-9-,12-6+
InChIKeyZRDKJCGVMCJYBY-AROIKDLCSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 54.03
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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Related Compounds

N-[(Z)-1-methylsulfanylprop-1-en-2-yl]ethanimine
CID 130370297
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine
CID 129233175
2-methyl-1-methylsulfanyl-4-propoxybut-1-ene
CID 123225260
N-[(Z)-2-methyl-3-propylsulfanylprop-1-enyl]ethanimine
CID 167223519
(E)-1-methylsulfanyl-N-propylprop-1-en-2-amine
CID 55286889
N-hept-3-en-4-ylethanimine
CID 123818491
1-fluoro-2,4-dimethylhept-3-ene
CID 155390379
methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium
CID 153404287
N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine?
The IUPAC name of N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine (CID 143053901) is N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine?
The canonical SMILES for N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine is C/C=N/C(=C\SC)/C=C(\C)CCC.
What is the InChIKey of N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine?
The InChIKey is ZRDKJCGVMCJYBY-AROIKDLCSA-N. The full InChI is InChI=1S/C11H19NS/c1-5-7-10(3)8-11(9-13-4)12-6-2/h6,8-9H,5,7H2,1-4H3/b10-8+,11-9-,12-6+.
What are the key properties of N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine?
N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine has a molecular weight of 197.35 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine is sourced from PubChem (CID 143053901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).