N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide

C8H14N2 — CID 123485444

IUPACN'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide
SMILESC=C(C)/C=N/C(C)=N/CC
InChIInChI=1S/C8H14N2/c1-5-9-8(4)10-6-7(2)3/h6H,2,5H2,1,3-4H3/b9-8+,10-6+
InChIKeyUGBXMKDVVNCQOF-JSAGYHNASA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds2

About N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide

N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide (PubChem CID 123485444) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide
PubChem CID123485444
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide
SMILESC=C(C)/C=N/C(C)=N/CC
InChIInChI=1S/C8H14N2/c1-5-9-8(4)10-6-7(2)3/h6H,2,5H2,1,3-4H3/b9-8+,10-6+
InChIKeyUGBXMKDVVNCQOF-JSAGYHNASA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide?
The IUPAC name of N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide (CID 123485444) is N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide.
What is the SMILES notation for N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide?
The canonical SMILES for N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide is C=C(C)/C=N/C(C)=N/CC.
What is the InChIKey of N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide?
The InChIKey is UGBXMKDVVNCQOF-JSAGYHNASA-N. The full InChI is InChI=1S/C8H14N2/c1-5-9-8(4)10-6-7(2)3/h6H,2,5H2,1,3-4H3/b9-8+,10-6+.
What are the key properties of N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide?
N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylprop-2-enylidene)ethanimidamide is sourced from PubChem (CID 123485444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).