(2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine

C11H19NS — CID 139523138

IUPAC(2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)N(CC)C(=C)C)SC
InChIInChI=1S/C11H19NS/c1-7-12(9(2)3)10(4)8-11(5)13-6/h8H,2,5,7H2,1,3-4,6H3/b10-8+
InChIKeyQIZSWPKSCNKRMF-CSKARUKUSA-N
MW197.35 g/mol
LogP3.62
Rot. Bonds5

About (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine

(2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine (PubChem CID 139523138) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
PubChem CID139523138
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name(2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)N(CC)C(=C)C)SC
InChIInChI=1S/C11H19NS/c1-7-12(9(2)3)10(4)8-11(5)13-6/h8H,2,5,7H2,1,3-4,6H3/b10-8+
InChIKeyQIZSWPKSCNKRMF-CSKARUKUSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.62
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 (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine (CID 139523138) is (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine is C=C(/C=C(\C)N(CC)C(=C)C)SC.
What is the InChIKey of (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The InChIKey is QIZSWPKSCNKRMF-CSKARUKUSA-N. The full InChI is InChI=1S/C11H19NS/c1-7-12(9(2)3)10(4)8-11(5)13-6/h8H,2,5,7H2,1,3-4,6H3/b10-8+.
What are the key properties of (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
(2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine has a molecular weight of 197.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine is sourced from PubChem (CID 139523138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).