(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine

C9H15NS — CID 126584258

IUPAC(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine
SMILESC=CN(C)/C(C)=C/C(=C)SC
InChIInChI=1S/C9H15NS/c1-6-10(4)8(2)7-9(3)11-5/h6-7H,1,3H2,2,4-5H3/b8-7+
InChIKeyYDDQWOLAXVAECF-BQYQJAHWSA-N
MW169.29 g/mol
LogP2.84
Rot. Bonds4

About (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine

(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine (PubChem CID 126584258) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine
PubChem CID126584258
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine
SMILESC=CN(C)/C(C)=C/C(=C)SC
InChIInChI=1S/C9H15NS/c1-6-10(4)8(2)7-9(3)11-5/h6-7H,1,3H2,2,4-5H3/b8-7+
InChIKeyYDDQWOLAXVAECF-BQYQJAHWSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.84
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-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine (CID 126584258) is (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine is C=CN(C)/C(C)=C/C(=C)SC.
What is the InChIKey of (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine?
The InChIKey is YDDQWOLAXVAECF-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15NS/c1-6-10(4)8(2)7-9(3)11-5/h6-7H,1,3H2,2,4-5H3/b8-7+.
What are the key properties of (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine?
(2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethenyl-N-methyl-4-methylsulfanylpenta-2,4-dien-2-amine is sourced from PubChem (CID 126584258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).