(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine

C9H15NS — CID 134341037

IUPAC(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/SCC)CN
InChIInChI=1S/C9H15NS/c1-3-11-7-5-4-6-9(2)8-10/h4-7H,2-3,8,10H2,1H3/b6-4-,7-5-
InChIKeySMAIHEIVVPQLPC-PEPZGXQESA-N
MW169.29 g/mol
LogP2.32
Rot. Bonds5

About (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine

(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 134341037) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine
PubChem CID134341037
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/SCC)CN
InChIInChI=1S/C9H15NS/c1-3-11-7-5-4-6-9(2)8-10/h4-7H,2-3,8,10H2,1H3/b6-4-,7-5-
InChIKeySMAIHEIVVPQLPC-PEPZGXQESA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.32
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 (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine (CID 134341037) is (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine is C=C(/C=C\C=C/SCC)CN.
What is the InChIKey of (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is SMAIHEIVVPQLPC-PEPZGXQESA-N. The full InChI is InChI=1S/C9H15NS/c1-3-11-7-5-4-6-9(2)8-10/h4-7H,2-3,8,10H2,1H3/b6-4-,7-5-.
What are the key properties of (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine?
(3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-ethylsulfanyl-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 134341037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).