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

C10H17NS — CID 134481175

IUPAC(2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)N(C)C(=C)C)SC
InChIInChI=1S/C10H17NS/c1-8(2)11(5)9(3)7-10(4)12-6/h7H,1,4H2,2-3,5-6H3/b9-7+
InChIKeyDEJBWHBXLFJVQD-VQHVLOKHSA-N
MW183.32 g/mol
LogP3.23
Rot. Bonds4

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

(2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine (PubChem CID 134481175) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
PubChem CID134481175
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine
SMILESC=C(/C=C(\C)N(C)C(=C)C)SC
InChIInChI=1S/C10H17NS/c1-8(2)11(5)9(3)7-10(4)12-6/h7H,1,4H2,2-3,5-6H3/b9-7+
InChIKeyDEJBWHBXLFJVQD-VQHVLOKHSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 53.23
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-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine (CID 134481175) is (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine is C=C(/C=C(\C)N(C)C(=C)C)SC.
What is the InChIKey of (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
The InChIKey is DEJBWHBXLFJVQD-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H17NS/c1-8(2)11(5)9(3)7-10(4)12-6/h7H,1,4H2,2-3,5-6H3/b9-7+.
What are the key properties of (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine?
(2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine has a molecular weight of 183.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-4-methylsulfanyl-N-prop-1-en-2-ylpenta-2,4-dien-2-amine is sourced from PubChem (CID 134481175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).