3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate

C17H32N2O4 — CID 144806603

IUPAC3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate
SMILES[H]/N=C(\C)CCC(=O)OCCCOC(=O)CCC(C)(C)C(C)(C)N
InChIInChI=1S/C17H32N2O4/c1-13(18)7-8-14(20)22-11-6-12-23-15(21)9-10-16(2,3)17(4,5)19/h18H,6-12,19H2,1-5H3/b18-13+
InChIKeyPHDZYPHWVLSSNQ-QGOAFFKASA-N
MW328.45 g/mol
LogP2.83
Rot. Bonds11

About 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate

3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate (PubChem CID 144806603) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate.

Molecular Properties

Compound Name3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate
PubChem CID144806603
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate
SMILES[H]/N=C(\C)CCC(=O)OCCCOC(=O)CCC(C)(C)C(C)(C)N
InChIInChI=1S/C17H32N2O4/c1-13(18)7-8-14(20)22-11-6-12-23-15(21)9-10-16(2,3)17(4,5)19/h18H,6-12,19H2,1-5H3/b18-13+
InChIKeyPHDZYPHWVLSSNQ-QGOAFFKASA-N
XLogP2.83
TPSA102.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate 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-(4-Tert-butyliminopentanoyloxy)-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate
CID 144806578
2-[1-(4-Iminopentanoyloxy)propan-2-yloxy]propyl 5-amino-4,4,5-trimethylhexanoate
CID 144806586
1-[1-(4-Iminopentanoyloxy)propan-2-yloxy]propan-2-yl 5-amino-4,4,5-trimethylhexanoate
CID 144806598
2-[3-[2-(3-Iminobutylperoxy)ethoxy]propoxy]ethyl 5-amino-4,4,5-trimethylhexanoate
CID 144806601
3-(4-Iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate;3-(4-iminopentanoyloxy)propyl 4-iminopentanoate;oxamide;propane
CID 144806602
[2-Hydroxy-3-(4-iminopentanoyloxy)propyl] 5-amino-4,4,5-trimethylhexanoate
CID 144806564

Frequently Asked Questions

What is the IUPAC name of 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate?
The IUPAC name of 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate (CID 144806603) is 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate.
What is the SMILES notation for 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate?
The canonical SMILES for 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate is [H]/N=C(\C)CCC(=O)OCCCOC(=O)CCC(C)(C)C(C)(C)N.
What is the InChIKey of 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate?
The InChIKey is PHDZYPHWVLSSNQ-QGOAFFKASA-N. The full InChI is InChI=1S/C17H32N2O4/c1-13(18)7-8-14(20)22-11-6-12-23-15(21)9-10-16(2,3)17(4,5)19/h18H,6-12,19H2,1-5H3/b18-13+.
What are the key properties of 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate?
3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate has a molecular weight of 328.45 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iminopentanoyloxy)propyl 5-amino-4,4,5-trimethylhexanoate is sourced from PubChem (CID 144806603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).