2-[(3-imino-2-methylpropylidene)amino]ethyl acetate

C8H14N2O2 — CID 123303702

IUPAC2-[(3-imino-2-methylpropylidene)amino]ethyl acetate
SMILES[H]/N=C/C(C)/C=N/CCOC(C)=O
InChIInChI=1S/C8H14N2O2/c1-7(5-9)6-10-3-4-12-8(2)11/h5-7,9H,3-4H2,1-2H3/b9-5+,10-6+
InChIKeyNZMUZXYWCNYXHO-NXZHAISVSA-N
MW170.21 g/mol
LogP0.91
Rot. Bonds5

About 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate

2-[(3-imino-2-methylpropylidene)amino]ethyl acetate (PubChem CID 123303702) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(3-imino-2-methylpropylidene)amino]ethyl acetate
PubChem CID123303702
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[(3-imino-2-methylpropylidene)amino]ethyl acetate
SMILES[H]/N=C/C(C)/C=N/CCOC(C)=O
InChIInChI=1S/C8H14N2O2/c1-7(5-9)6-10-3-4-12-8(2)11/h5-7,9H,3-4H2,1-2H3/b9-5+,10-6+
InChIKeyNZMUZXYWCNYXHO-NXZHAISVSA-N
XLogP0.91
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(2-methylpropylideneamino)acetate
CID 20221994
Ethyl 3-ethylimino-2-methylpropanoate
CID 57236198
2-(Dimethylamino)ethyl 3-imino-2-methylpropanoate
CID 57281202
Ethyl 3-carbamoylimino-2-methylpropanoate
CID 57316403
2-(3-Imino-2-methylpropanoyl)oxyethyl-trimethylazanium
CID 123907955
Ethyl 3-imino-2-methanimidoylpropanoate
CID 123918068
3-Methyliminopropyl 2-aminoacetate
CID 126663277
2-(Ethylideneamino)ethyl acetate;methanimine;vanadium
CID 145312862
2-methylpropyl (2S)-3-imino-2-methylpropanoate
CID 163685668
Methyl 2-[(3-ethanimidoyloxy-2,2-dimethylpropylidene)amino]propanoate
CID 169618683
2,2-Dicyanoethylidene-(2-ethoxy-2-oxoethyl)azanium
CID 7018200
Ethyl 2-(2,2-dicyanoethylideneamino)acetate
CID 7018201

Frequently Asked Questions

What is the IUPAC name of 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate?
The IUPAC name of 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate (CID 123303702) is 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate.
What is the SMILES notation for 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate?
The canonical SMILES for 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate is [H]/N=C/C(C)/C=N/CCOC(C)=O.
What is the InChIKey of 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate?
The InChIKey is NZMUZXYWCNYXHO-NXZHAISVSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(5-9)6-10-3-4-12-8(2)11/h5-7,9H,3-4H2,1-2H3/b9-5+,10-6+.
What are the key properties of 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate?
2-[(3-imino-2-methylpropylidene)amino]ethyl acetate has a molecular weight of 170.21 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-imino-2-methylpropylidene)amino]ethyl acetate is sourced from PubChem (CID 123303702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).