ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine

C18H37N3S — CID 176694339

IUPACethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine
SMILESCC.CC.CC.CN/C(C)=C(\SC)c1nnc(C)c(C)c1C
InChIInChI=1S/C12H19N3S.3C2H6/c1-7-8(2)11(15-14-9(7)3)12(16-6)10(4)13-5;3*1-2/h13H,1-6H3;3*1-2H3/b12-10-;;;
InChIKeyDRLNWWKSBRSVQV-JSBHYKLASA-N
MW327.58 g/mol
LogP5.75
Rot. Bonds3

About ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine

ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine (PubChem CID 176694339) has the molecular formula C18H37N3S and a molecular weight of 327.58 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine
PubChem CID176694339
Molecular FormulaC18H37N3S
Molecular Weight327.58 g/mol
Exact Mass327.27
IUPAC Nameethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine
SMILESCC.CC.CC.CN/C(C)=C(\SC)c1nnc(C)c(C)c1C
InChIInChI=1S/C12H19N3S.3C2H6/c1-7-8(2)11(15-14-9(7)3)12(16-6)10(4)13-5;3*1-2/h13H,1-6H3;3*1-2H3/b12-10-;;;
InChIKeyDRLNWWKSBRSVQV-JSBHYKLASA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.58
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine with MolForge

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Related Compounds

4,5-Dimethyl-3-methylsulfanyl-6-propan-2-ylpyridazine
CID 126626230
(Z)-2-N-ethyl-1-(3,5,6-trimethylpyridazin-4-yl)prop-1-ene-1,2-diamine
CID 134502807
3-Ethyl-4,5-dimethyl-6-methylsulfanylpyridazine
CID 163770690
3-(Azetidin-3-yl)-4,5,6-trimethylpyridazine;ethane
CID 169124197
N-methyl-3-(4,5,6-trimethylpyridazin-3-yl)propan-1-amine
CID 175564546
(3-Butylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
CID 61096228
(3-Cyclohexylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
CID 61096231
(5,6-Dimethyl-3-propan-2-ylsulfanylpyridazin-4-yl)methanamine
CID 61096431
(5,6-Dimethyl-3-methylsulfanylpyridazin-4-yl)methanamine
CID 61096433
[5,6-Dimethyl-3-(2-methylpropylsulfanyl)pyridazin-4-yl]methanamine
CID 61097830
(3-Butan-2-ylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
CID 61098231
(3-Ethylsulfanyl-5,6-dimethylpyridazin-4-yl)methanamine
CID 61098232

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine?
The IUPAC name of ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine (CID 176694339) is ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine.
What is the SMILES notation for ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine?
The canonical SMILES for ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine is CC.CC.CC.CN/C(C)=C(\SC)c1nnc(C)c(C)c1C.
What is the InChIKey of ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine?
The InChIKey is DRLNWWKSBRSVQV-JSBHYKLASA-N. The full InChI is InChI=1S/C12H19N3S.3C2H6/c1-7-8(2)11(15-14-9(7)3)12(16-6)10(4)13-5;3*1-2/h13H,1-6H3;3*1-2H3/b12-10-;;;.
What are the key properties of ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine?
ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine has a molecular weight of 327.58 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-1-methylsulfanyl-1-(4,5,6-trimethylpyridazin-3-yl)prop-1-en-2-amine is sourced from PubChem (CID 176694339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).