N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide

C11H22N2 — CID 139818256

IUPACN,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCCN(CC)/C(C)=N/C(C)=C(C)C
InChIInChI=1S/C11H22N2/c1-7-13(8-2)11(6)12-10(5)9(3)4/h7-8H2,1-6H3/b12-11+
InChIKeyRSILYYODXTUCIH-VAWYXSNFSA-N
MW182.31 g/mol
LogP3.06
Rot. Bonds3

About N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide

N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide (PubChem CID 139818256) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
PubChem CID139818256
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
SMILESCCN(CC)/C(C)=N/C(C)=C(C)C
InChIInChI=1S/C11H22N2/c1-7-13(8-2)11(6)12-10(5)9(3)4/h7-8H2,1-6H3/b12-11+
InChIKeyRSILYYODXTUCIH-VAWYXSNFSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,4,5-Pentamethylimidazol-1-ium
CID 17775515
1,2,4,6-Tetramethylpyrimidine
CID 53690490
1,1,2,4,5-Pentamethylimidazol-1-ium hydroxide
CID 118235036
N-(3-methylbut-2-en-2-yl)-N'-propylethanimidamide
CID 123451617
N,N-dimethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 139818255
N,N-diethyl-N'-(3-methylbut-2-en-2-yl)methanimidamide
CID 139924793
2,3,5,6-tetramethyl-4H-pyrimidine
CID 141440506
N-ethyl-N-methyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide
CID 168197139
1,1,2,4,5-Pentamethylimidazol-1-ium iodide
CID 21735267
N,N'-dimethyl-N-(3-methylbut-2-en-2-yl)methanimidamide
CID 143160390
N-ethyl-N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 143363768
N,N-diethyl-N'-(2-methylprop-1-enyl)ethanimidamide
CID 144086788

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The IUPAC name of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide (CID 139818256) is N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide.
What is the SMILES notation for N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The canonical SMILES for N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide is CCN(CC)/C(C)=N/C(C)=C(C)C.
What is the InChIKey of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
The InChIKey is RSILYYODXTUCIH-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-7-13(8-2)11(6)12-10(5)9(3)4/h7-8H2,1-6H3/b12-11+.
What are the key properties of N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide?
N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(3-methylbut-2-en-2-yl)ethanimidamide is sourced from PubChem (CID 139818256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).