(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine

C12H21NS — CID 89074128

IUPAC(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine
SMILESC=C(/C=C\C(N)CC)CC/C=C\SC
InChIInChI=1S/C12H21NS/c1-4-12(13)9-8-11(2)7-5-6-10-14-3/h6,8-10,12H,2,4-5,7,13H2,1,3H3/b9-8-,10-6-
InChIKeyDBJNOQWLQOJHNL-BLQKWXTKSA-N
MW211.37 g/mol
LogP3.49
Rot. Bonds7

About (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine

(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine (PubChem CID 89074128) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine.

Molecular Properties

Compound Name(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine
PubChem CID89074128
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine
SMILESC=C(/C=C\C(N)CC)CC/C=C\SC
InChIInChI=1S/C12H21NS/c1-4-12(13)9-8-11(2)7-5-6-10-14-3/h6,8-10,12H,2,4-5,7,13H2,1,3H3/b9-8-,10-6-
InChIKeyDBJNOQWLQOJHNL-BLQKWXTKSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine?
The IUPAC name of (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine (CID 89074128) is (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine.
What is the SMILES notation for (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine?
The canonical SMILES for (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine is C=C(/C=C\C(N)CC)CC/C=C\SC.
What is the InChIKey of (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine?
The InChIKey is DBJNOQWLQOJHNL-BLQKWXTKSA-N. The full InChI is InChI=1S/C12H21NS/c1-4-12(13)9-8-11(2)7-5-6-10-14-3/h6,8-10,12H,2,4-5,7,13H2,1,3H3/b9-8-,10-6-.
What are the key properties of (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine?
(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine has a molecular weight of 211.37 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine is sourced from PubChem (CID 89074128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).