N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine

C10H15NS — CID 143106690

IUPACN-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C(N=C)=C(\C=C)SCCC
InChIInChI=1S/C10H15NS/c1-5-8-12-10(7-3)9(6-2)11-4/h6-7H,2-5,8H2,1H3/b10-9-
InChIKeyOMMGQDMOSNYCHR-KTKRTIGZSA-N
MW181.30 g/mol
LogP3.41
Rot. Bonds6

About N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine

N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine (PubChem CID 143106690) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine
PubChem CID143106690
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameN-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine
SMILESC=C/C(N=C)=C(\C=C)SCCC
InChIInChI=1S/C10H15NS/c1-5-8-12-10(7-3)9(6-2)11-4/h6-7H,2-5,8H2,1H3/b10-9-
InChIKeyOMMGQDMOSNYCHR-KTKRTIGZSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.41
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)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine (CID 143106690) is N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine is C=C/C(N=C)=C(\C=C)SCCC.
What is the InChIKey of N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine?
The InChIKey is OMMGQDMOSNYCHR-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H15NS/c1-5-8-12-10(7-3)9(6-2)11-4/h6-7H,2-5,8H2,1H3/b10-9-.
What are the key properties of N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine?
N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine has a molecular weight of 181.30 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-4-propylsulfanylhexa-1,3,5-trien-3-yl]methanimine is sourced from PubChem (CID 143106690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).