N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine

C14H31N4PS — CID 15364241

IUPACN-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine
SMILESCCN(CC)P(=S)(/C(C)=C/C=N/N(C)C)N(CC)CC
InChIInChI=1S/C14H31N4PS/c1-8-17(9-2)19(20,18(10-3)11-4)14(5)12-13-15-16(6)7/h12-13H,8-11H2,1-7H3/b14-12+,15-13+
InChIKeySWGAWZCBSDOLKR-QUMQEAAQSA-N
MW318.47 g/mol
LogP3.43
Rot. Bonds9

About N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine

N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine (PubChem CID 15364241) has the molecular formula C14H31N4PS and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine
PubChem CID15364241
Molecular FormulaC14H31N4PS
Molecular Weight318.47 g/mol
Exact Mass318.20
IUPAC NameN-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine
SMILESCCN(CC)P(=S)(/C(C)=C/C=N/N(C)C)N(CC)CC
InChIInChI=1S/C14H31N4PS/c1-8-17(9-2)19(20,18(10-3)11-4)14(5)12-13-15-16(6)7/h12-13H,8-11H2,1-7H3/b14-12+,15-13+
InChIKeySWGAWZCBSDOLKR-QUMQEAAQSA-N
XLogP3.43
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine
CID 143099985
4-(dimethylhydrazinylidene)-2-methylbut-2-enoic acid
CID 54437134
N-[(Z)-[(E)-but-2-enylidene]amino]-N-methylmethanamine
CID 5370316
1-ethyl-1-(ethylideneamino)thiourea
CID 88775197
4-(dimethylhydrazinylidene)butanoic acid
CID 91543570
N-methyl-N-[(E)-[(2E,4E)-2-methylundeca-2,4-dienylidene]amino]methanamine
CID 24740811
(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
CID 15882620
N-[(E)-[(E)-3-ethoxy-2-methylprop-2-enylidene]amino]-N-methylmethanamine
CID 18356424
(1S,2R,4R)-1-[[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]sulfinylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 23248337
N-[3-(dimethylhydrazinylidene)propylideneamino]-N-methylmethanamine
CID 89455824
N-methyl-N-(2-methylprop-2-enylideneamino)ethanamine
CID 123532082
N-(diethylamino-ethylimino-fluoro-λ5-phosphanyl)-N-ethylethanamine
CID 13081872

Frequently Asked Questions

What is the IUPAC name of N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine?
The IUPAC name of N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine (CID 15364241) is N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine.
What is the SMILES notation for N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine?
The canonical SMILES for N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine is CCN(CC)P(=S)(/C(C)=C/C=N/N(C)C)N(CC)CC.
What is the InChIKey of N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine?
The InChIKey is SWGAWZCBSDOLKR-QUMQEAAQSA-N. The full InChI is InChI=1S/C14H31N4PS/c1-8-17(9-2)19(20,18(10-3)11-4)14(5)12-13-15-16(6)7/h12-13H,8-11H2,1-7H3/b14-12+,15-13+.
What are the key properties of N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine?
N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine has a molecular weight of 318.47 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethylamino-[(E,4E)-4-(dimethylhydrazinylidene)but-2-en-2-yl]phosphinothioyl]-N-ethylethanamine is sourced from PubChem (CID 15364241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).