(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine

C8H15NS — CID 134365679

IUPAC(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine
SMILESCCS/C=C\C=C\CNC
InChIInChI=1S/C8H15NS/c1-3-10-8-6-4-5-7-9-2/h4-6,8-9H,3,7H2,1-2H3/b5-4+,8-6-
InChIKeySNZGKWMXQVYVMK-LMJRQTCTSA-N
MW157.28 g/mol
LogP2.03
Rot. Bonds5

About (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine

(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine (PubChem CID 134365679) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine
PubChem CID134365679
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine
SMILESCCS/C=C\C=C\CNC
InChIInChI=1S/C8H15NS/c1-3-10-8-6-4-5-7-9-2/h4-6,8-9H,3,7H2,1-2H3/b5-4+,8-6-
InChIKeySNZGKWMXQVYVMK-LMJRQTCTSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.03
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 (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine (CID 134365679) is (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine is CCS/C=C\C=C\CNC.
What is the InChIKey of (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine?
The InChIKey is SNZGKWMXQVYVMK-LMJRQTCTSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-10-8-6-4-5-7-9-2/h4-6,8-9H,3,7H2,1-2H3/b5-4+,8-6-.
What are the key properties of (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine?
(2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-ethylsulfanyl-N-methylpenta-2,4-dien-1-amine is sourced from PubChem (CID 134365679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).