(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine

C16H25NS — CID 146590425

IUPAC(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine
SMILESC/C=C\C(=C/C=C/CSC)C/C(C)=C/C(C)=N/C
InChIInChI=1S/C16H25NS/c1-6-9-16(10-7-8-11-18-5)13-14(2)12-15(3)17-4/h6-10,12H,11,13H2,1-5H3/b8-7+,9-6-,14-12+,16-10+,17-15+
InChIKeyZHZHYNMWSHTAMA-DZCLJTJBSA-N
MW263.45 g/mol
LogP4.84
Rot. Bonds7

About (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine

(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine (PubChem CID 146590425) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine.

Molecular Properties

Compound Name(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine
PubChem CID146590425
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine
SMILESC/C=C\C(=C/C=C/CSC)C/C(C)=C/C(C)=N/C
InChIInChI=1S/C16H25NS/c1-6-9-16(10-7-8-11-18-5)13-14(2)12-15(3)17-4/h6-10,12H,11,13H2,1-5H3/b8-7+,9-6-,14-12+,16-10+,17-15+
InChIKeyZHZHYNMWSHTAMA-DZCLJTJBSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.84
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 (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine?
The IUPAC name of (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine (CID 146590425) is (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine.
What is the SMILES notation for (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine?
The canonical SMILES for (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine is C/C=C\C(=C/C=C/CSC)C/C(C)=C/C(C)=N/C.
What is the InChIKey of (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine?
The InChIKey is ZHZHYNMWSHTAMA-DZCLJTJBSA-N. The full InChI is InChI=1S/C16H25NS/c1-6-9-16(10-7-8-11-18-5)13-14(2)12-15(3)17-4/h6-10,12H,11,13H2,1-5H3/b8-7+,9-6-,14-12+,16-10+,17-15+.
What are the key properties of (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine?
(3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine has a molecular weight of 263.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z,8E)-N,4-dimethyl-10-methylsulfanyl-6-[(Z)-prop-1-enyl]deca-3,6,8-trien-2-imine is sourced from PubChem (CID 146590425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).