(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine

C8H15NS — CID 144789943

IUPAC(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(/SC)N(C)C
InChIInChI=1S/C8H15NS/c1-7(2)6-8(10-5)9(3)4/h6H,1H2,2-5H3/b8-6+
InChIKeyPNOWRGGAFOFJJF-SOFGYWHQSA-N
MW157.28 g/mol
LogP2.33
Rot. Bonds3

About (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine

(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine (PubChem CID 144789943) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine
PubChem CID144789943
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine
SMILESC=C(C)/C=C(/SC)N(C)C
InChIInChI=1S/C8H15NS/c1-7(2)6-8(10-5)9(3)4/h6H,1H2,2-5H3/b8-6+
InChIKeyPNOWRGGAFOFJJF-SOFGYWHQSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methylprop-1-enyl)-5-methylsulfanyl-2,3-dihydropyrrole
CID 21518580
5-ethyl-N,N-dimethyl-4H-thiopyran-2-amine
CID 163694542
2-ethenyl-N,N-dimethyl-1-methylsulfanylbuta-1,3-dien-1-amine
CID 21718488
(E)-N,N-dimethyl-1-methylsulfanylbut-1-en-1-amine
CID 133621262

Frequently Asked Questions

What is the IUPAC name of (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine (CID 144789943) is (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine is C=C(C)/C=C(/SC)N(C)C.
What is the InChIKey of (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine?
The InChIKey is PNOWRGGAFOFJJF-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)6-8(10-5)9(3)4/h6H,1H2,2-5H3/b8-6+.
What are the key properties of (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine?
(1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N,N,3-trimethyl-1-methylsulfanylbuta-1,3-dien-1-amine is sourced from PubChem (CID 144789943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).