(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine

C13H19NS — CID 139382058

IUPAC(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine
SMILESC=C/C=C\C=C(C(=C\C=C)\SC)/N(C)C
InChIInChI=1S/C13H19NS/c1-6-8-9-11-12(14(3)4)13(15-5)10-7-2/h6-11H,1-2H2,3-5H3/b9-8-,12-11-,13-10-
InChIKeyYXAFWESZOWTOPB-WOOVRULUSA-N
MW221.37 g/mol
LogP3.61
Rot. Bonds6

About (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine

(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine (PubChem CID 139382058) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine
PubChem CID139382058
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine
SMILESC=C/C=C\C=C(C(=C\C=C)\SC)/N(C)C
InChIInChI=1S/C13H19NS/c1-6-8-9-11-12(14(3)4)13(15-5)10-7-2/h6-11H,1-2H2,3-5H3/b9-8-,12-11-,13-10-
InChIKeyYXAFWESZOWTOPB-WOOVRULUSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine?
The IUPAC name of (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine (CID 139382058) is (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine.
What is the SMILES notation for (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine?
The canonical SMILES for (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine is C=C/C=C\C=C(C(=C\C=C)\SC)/N(C)C.
What is the InChIKey of (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine?
The InChIKey is YXAFWESZOWTOPB-WOOVRULUSA-N. The full InChI is InChI=1S/C13H19NS/c1-6-8-9-11-12(14(3)4)13(15-5)10-7-2/h6-11H,1-2H2,3-5H3/b9-8-,12-11-,13-10-.
What are the key properties of (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine?
(3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine has a molecular weight of 221.37 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-N,N-dimethyl-4-methylsulfanyldeca-1,3,5,7,9-pentaen-5-amine is sourced from PubChem (CID 139382058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).