2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide

C12H23N3 — CID 118176388

IUPAC2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide
SMILESC=CC(=C)CN(C)/C(CN(C)CC)=N/C
InChIInChI=1S/C12H23N3/c1-7-11(3)9-15(6)12(13-4)10-14(5)8-2/h7H,1,3,8-10H2,2,4-6H3/b13-12+
InChIKeyIRBWNTQKZXSELI-OUKQBFOZSA-N
MW209.34 g/mol
LogP1.64
Rot. Bonds6

About 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide

2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide (PubChem CID 118176388) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide
PubChem CID118176388
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide
SMILESC=CC(=C)CN(C)/C(CN(C)CC)=N/C
InChIInChI=1S/C12H23N3/c1-7-11(3)9-15(6)12(13-4)10-14(5)8-2/h7H,1,3,8-10H2,2,4-6H3/b13-12+
InChIKeyIRBWNTQKZXSELI-OUKQBFOZSA-N
XLogP1.64
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide (CID 118176388) is 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide is C=CC(=C)CN(C)/C(CN(C)CC)=N/C.
What is the InChIKey of 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide?
The InChIKey is IRBWNTQKZXSELI-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N3/c1-7-11(3)9-15(6)12(13-4)10-14(5)8-2/h7H,1,3,8-10H2,2,4-6H3/b13-12+.
What are the key properties of 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide?
2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide has a molecular weight of 209.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N,N'-dimethyl-N-(2-methylidenebut-3-enyl)ethanimidamide is sourced from PubChem (CID 118176388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).