ethyl 4-ethylimino-2-methylpentanoate

C10H19NO2 — CID 91303916

IUPACethyl 4-ethylimino-2-methylpentanoate
SMILESCC/N=C(\C)CC(C)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-11-9(4)7-8(3)10(12)13-6-2/h8H,5-7H2,1-4H3/b11-9+
InChIKeyPOHQJZFELFPWOG-PKNBQFBNSA-N
MW185.27 g/mol
LogP2.06
Rot. Bonds5

About ethyl 4-ethylimino-2-methylpentanoate

ethyl 4-ethylimino-2-methylpentanoate (PubChem CID 91303916) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 4-ethylimino-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-ethylimino-2-methylpentanoate
PubChem CID91303916
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 4-ethylimino-2-methylpentanoate
SMILESCC/N=C(\C)CC(C)C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-5-11-9(4)7-8(3)10(12)13-6-2/h8H,5-7H2,1-4H3/b11-9+
InChIKeyPOHQJZFELFPWOG-PKNBQFBNSA-N
XLogP2.06
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 4-ethylimino-2-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-oxazol-5(2H)-one
CID 71357806
Ethyl 3-(propan-2-yl)-2H-azirene-2-carboxylate
CID 13014310
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
Pentyl 3-butyliminobutanoate
CID 19796778
Pentyl 3-pentyliminobutanoate
CID 19796794
Ethyl 3-imino-4-methylpentanoate
CID 21426789
Propyl 3-ethyliminobutanoate
CID 54218026
Ethyl 3-imino-2-methylpentanoate
CID 54308795
Ethyl 3-(2-methylpropylimino)butanoate
CID 54534452
(2S)-2-[(4-ethoxy-4-oxobutan-2-ylidene)amino]-4-methylpentanoic acid
CID 56630515
Ethyl 2-methyl-3-methyliminopentanoate
CID 56980856
Ethyl 3-carbamoylimino-2-methylpentanoate
CID 57039700

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylimino-2-methylpentanoate?
The IUPAC name of ethyl 4-ethylimino-2-methylpentanoate (CID 91303916) is ethyl 4-ethylimino-2-methylpentanoate.
What is the SMILES notation for ethyl 4-ethylimino-2-methylpentanoate?
The canonical SMILES for ethyl 4-ethylimino-2-methylpentanoate is CC/N=C(\C)CC(C)C(=O)OCC.
What is the InChIKey of ethyl 4-ethylimino-2-methylpentanoate?
The InChIKey is POHQJZFELFPWOG-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-11-9(4)7-8(3)10(12)13-6-2/h8H,5-7H2,1-4H3/b11-9+.
What are the key properties of ethyl 4-ethylimino-2-methylpentanoate?
ethyl 4-ethylimino-2-methylpentanoate has a molecular weight of 185.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylimino-2-methylpentanoate is sourced from PubChem (CID 91303916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).