(E)-N,N-diethyl-2-isocyanoethenamine

C7H12N2 — CID 140761999

IUPAC(E)-N,N-diethyl-2-isocyanoethenamine
SMILES[C-]#[N+]/C=C/N(CC)CC
InChIInChI=1S/C7H12N2/c1-4-9(5-2)7-6-8-3/h6-7H,4-5H2,1-2H3/b7-6+
InChIKeyFJWVMYSNDPEZCI-VOTSOKGWSA-N
MW124.19 g/mol
LogP1.72
Rot. Bonds3

About (E)-N,N-diethyl-2-isocyanoethenamine

(E)-N,N-diethyl-2-isocyanoethenamine (PubChem CID 140761999) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-isocyanoethenamine.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-isocyanoethenamine
PubChem CID140761999
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-N,N-diethyl-2-isocyanoethenamine
SMILES[C-]#[N+]/C=C/N(CC)CC
InChIInChI=1S/C7H12N2/c1-4-9(5-2)7-6-8-3/h6-7H,4-5H2,1-2H3/b7-6+
InChIKeyFJWVMYSNDPEZCI-VOTSOKGWSA-N
XLogP1.72
TPSA7.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N-Trimethylethenaminium
CID 10043
N,N-dimethylethenamine
CID 521812
Diethylvinylamine
CID 12773283
(E)-N~1~,N~1~,N~2~,N~2~-tetraethyl-1,2-ethenediamine
CID 6114333
n,n,n',n'-Tetramethylethylene-1,2-diamine
CID 12887441
Methyliminodiethylene
CID 18541472
N,N'-diethylpyrazine
CID 20034939
1,4-Dimethyl-1,4-dihydropyrazine
CID 22000804
N~1~,N~1~,N~2~,N~2~-Tetramethylethene-1,2-diamine
CID 54395353
Vjwourgmcowiqp-uhfffaoysa-
CID 17856104
(2Z,5Z,8Z)-1,4,7-trimethyl-1,4,7-triazonine
CID 12599645
N,N,N',N'-tetraethylethene-1,2-diamine
CID 4453932

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-isocyanoethenamine?
The IUPAC name of (E)-N,N-diethyl-2-isocyanoethenamine (CID 140761999) is (E)-N,N-diethyl-2-isocyanoethenamine.
What is the SMILES notation for (E)-N,N-diethyl-2-isocyanoethenamine?
The canonical SMILES for (E)-N,N-diethyl-2-isocyanoethenamine is [C-]#[N+]/C=C/N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-2-isocyanoethenamine?
The InChIKey is FJWVMYSNDPEZCI-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9(5-2)7-6-8-3/h6-7H,4-5H2,1-2H3/b7-6+.
What are the key properties of (E)-N,N-diethyl-2-isocyanoethenamine?
(E)-N,N-diethyl-2-isocyanoethenamine has a molecular weight of 124.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-isocyanoethenamine is sourced from PubChem (CID 140761999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).