methyl 2-(propylideneamino)hexanoate

C10H19NO2 — CID 59107334

IUPACmethyl 2-(propylideneamino)hexanoate
SMILESCC/C=N/C(CCCC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h8-9H,4-7H2,1-3H3/b11-8+
InChIKeyRQBRVSWUBXCSKY-DHZHZOJOSA-N
MW185.27 g/mol
LogP2.20
Rot. Bonds6

About methyl 2-(propylideneamino)hexanoate

methyl 2-(propylideneamino)hexanoate (PubChem CID 59107334) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(propylideneamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(propylideneamino)hexanoate
PubChem CID59107334
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(propylideneamino)hexanoate
SMILESCC/C=N/C(CCCC)C(=O)OC
InChIInChI=1S/C10H19NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h8-9H,4-7H2,1-3H3/b11-8+
InChIKeyRQBRVSWUBXCSKY-DHZHZOJOSA-N
XLogP2.20
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2-(propylideneamino)hexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(propylideneamino)hexanoate?
The IUPAC name of methyl 2-(propylideneamino)hexanoate (CID 59107334) is methyl 2-(propylideneamino)hexanoate.
What is the SMILES notation for methyl 2-(propylideneamino)hexanoate?
The canonical SMILES for methyl 2-(propylideneamino)hexanoate is CC/C=N/C(CCCC)C(=O)OC.
What is the InChIKey of methyl 2-(propylideneamino)hexanoate?
The InChIKey is RQBRVSWUBXCSKY-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-9(10(12)13-3)11-8-5-2/h8-9H,4-7H2,1-3H3/b11-8+.
What are the key properties of methyl 2-(propylideneamino)hexanoate?
methyl 2-(propylideneamino)hexanoate has a molecular weight of 185.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(propylideneamino)hexanoate is sourced from PubChem (CID 59107334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).