N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine

C10H17NS — CID 137384360

IUPACN-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/C)SC)C(C)C
InChIInChI=1S/C10H17NS/c1-8(2)10(11-4)7-6-9(3)12-5/h6-8H,4H2,1-3,5H3/b9-6+,10-7-
InChIKeyZSQIBYJNHFBSTP-FPXDHTHPSA-N
MW183.32 g/mol
LogP3.49
Rot. Bonds4

About N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine

N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine (PubChem CID 137384360) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine
PubChem CID137384360
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C\C=C(/C)SC)C(C)C
InChIInChI=1S/C10H17NS/c1-8(2)10(11-4)7-6-9(3)12-5/h6-8H,4H2,1-3,5H3/b9-6+,10-7-
InChIKeyZSQIBYJNHFBSTP-FPXDHTHPSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.49
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-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine (CID 137384360) is N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine is C=N/C(=C\C=C(/C)SC)C(C)C.
What is the InChIKey of N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine?
The InChIKey is ZSQIBYJNHFBSTP-FPXDHTHPSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)10(11-4)7-6-9(3)12-5/h6-8H,4H2,1-3,5H3/b9-6+,10-7-.
What are the key properties of N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine?
N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine has a molecular weight of 183.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-2-methyl-6-methylsulfanylhepta-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 137384360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).