2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate

C20H36N2O5 — CID 123884198

IUPAC2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate
SMILES[H]/N=C(\C)CCC(=O)OCCOCCOC(=O)CC/C(C)=N/C(C)(CC)CC
InChIInChI=1S/C20H36N2O5/c1-6-20(5,7-2)22-17(4)9-11-19(24)27-15-13-25-12-14-26-18(23)10-8-16(3)21/h21H,6-15H2,1-5H3/b21-16+,22-17+
InChIKeyHMRFEHKUCCDOKI-LPFJTETCSA-N
MW384.52 g/mol
LogP3.73
Rot. Bonds15

About 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate

2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate (PubChem CID 123884198) has the molecular formula C20H36N2O5 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate.

Molecular Properties

Compound Name2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate
PubChem CID123884198
Molecular FormulaC20H36N2O5
Molecular Weight384.52 g/mol
Exact Mass384.26
IUPAC Name2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate
SMILES[H]/N=C(\C)CCC(=O)OCCOCCOC(=O)CC/C(C)=N/C(C)(CC)CC
InChIInChI=1S/C20H36N2O5/c1-6-20(5,7-2)22-17(4)9-11-19(24)27-15-13-25-12-14-26-18(23)10-8-16(3)21/h21H,6-15H2,1-5H3/b21-16+,22-17+
InChIKeyHMRFEHKUCCDOKI-LPFJTETCSA-N
XLogP3.73
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate 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

2-[3-[2-(3-iminobutylperoxy)ethoxy]propoxy]ethyl 5-amino-4,4,5-trimethylhexanoate
CID 144806601
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-ethoxyethyl 4-oxopentanoate
CID 22556205
4-O-[3-[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxy-2,2-bis[[4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-4-oxobutanoyl]oxymethyl]propyl] 1-O-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl] butanedioate
CID 88853370
3-iminobutyl acetate
CID 163586069
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-chloroethyl 3-iminobutanoate
CID 54147163
4-oxo-4-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]butanoic acid;2-(2-propanoyloxyethoxy)ethyl propanoate
CID 160907308
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate?
The IUPAC name of 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate (CID 123884198) is 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate.
What is the SMILES notation for 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate?
The canonical SMILES for 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate is [H]/N=C(\C)CCC(=O)OCCOCCOC(=O)CC/C(C)=N/C(C)(CC)CC.
What is the InChIKey of 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate?
The InChIKey is HMRFEHKUCCDOKI-LPFJTETCSA-N. The full InChI is InChI=1S/C20H36N2O5/c1-6-20(5,7-2)22-17(4)9-11-19(24)27-15-13-25-12-14-26-18(23)10-8-16(3)21/h21H,6-15H2,1-5H3/b21-16+,22-17+.
What are the key properties of 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate?
2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate has a molecular weight of 384.52 g/mol, XLogP of 3.73, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-methylpentan-3-ylimino)pentanoyloxy]ethoxy]ethyl 4-iminopentanoate is sourced from PubChem (CID 123884198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).