(5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine

C12H21NS — CID 134389733

IUPAC(5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine
SMILESC=C(/C=C(\C=C(C)C)SC)CCCN
InChIInChI=1S/C12H21NS/c1-10(2)8-12(14-4)9-11(3)6-5-7-13/h8-9H,3,5-7,13H2,1-2,4H3/b12-9+
InChIKeyBQMBSJOECLOQAW-FMIVXFBMSA-N
MW211.37 g/mol
LogP3.49
Rot. Bonds6

About (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine

(5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine (PubChem CID 134389733) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine.

Molecular Properties

Compound Name(5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine
PubChem CID134389733
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name(5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine
SMILESC=C(/C=C(\C=C(C)C)SC)CCCN
InChIInChI=1S/C12H21NS/c1-10(2)8-12(14-4)9-11(3)6-5-7-13/h8-9H,3,5-7,13H2,1-2,4H3/b12-9+
InChIKeyBQMBSJOECLOQAW-FMIVXFBMSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
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 (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine?
The IUPAC name of (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine (CID 134389733) is (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine.
What is the SMILES notation for (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine?
The canonical SMILES for (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine is C=C(/C=C(\C=C(C)C)SC)CCCN.
What is the InChIKey of (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine?
The InChIKey is BQMBSJOECLOQAW-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H21NS/c1-10(2)8-12(14-4)9-11(3)6-5-7-13/h8-9H,3,5-7,13H2,1-2,4H3/b12-9+.
What are the key properties of (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine?
(5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-8-methyl-4-methylidene-6-methylsulfanylnona-5,7-dien-1-amine is sourced from PubChem (CID 134389733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).