(7-amino-4-iminoheptyl) octanoate

C15H30N2O2 — CID 174560179

IUPAC(7-amino-4-iminoheptyl) octanoate
SMILES[H]/N=C(\CCCN)CCCOC(=O)CCCCCCC
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-11-15(18)19-13-8-10-14(17)9-7-12-16/h17H,2-13,16H2,1H3/b17-14+
InChIKeyQDGZBNSIHMJHRO-SAPNQHFASA-N
MW270.42 g/mol
LogP3.43
Rot. Bonds13

About (7-amino-4-iminoheptyl) octanoate

(7-amino-4-iminoheptyl) octanoate (PubChem CID 174560179) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (7-amino-4-iminoheptyl) octanoate.

Molecular Properties

Compound Name(7-amino-4-iminoheptyl) octanoate
PubChem CID174560179
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(7-amino-4-iminoheptyl) octanoate
SMILES[H]/N=C(\CCCN)CCCOC(=O)CCCCCCC
InChIInChI=1S/C15H30N2O2/c1-2-3-4-5-6-11-15(18)19-13-8-10-14(17)9-7-12-16/h17H,2-13,16H2,1H3/b17-14+
InChIKeyQDGZBNSIHMJHRO-SAPNQHFASA-N
XLogP3.43
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (7-amino-4-iminoheptyl) octanoate 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 (7-amino-4-iminoheptyl) octanoate?
The IUPAC name of (7-amino-4-iminoheptyl) octanoate (CID 174560179) is (7-amino-4-iminoheptyl) octanoate.
What is the SMILES notation for (7-amino-4-iminoheptyl) octanoate?
The canonical SMILES for (7-amino-4-iminoheptyl) octanoate is [H]/N=C(\CCCN)CCCOC(=O)CCCCCCC.
What is the InChIKey of (7-amino-4-iminoheptyl) octanoate?
The InChIKey is QDGZBNSIHMJHRO-SAPNQHFASA-N. The full InChI is InChI=1S/C15H30N2O2/c1-2-3-4-5-6-11-15(18)19-13-8-10-14(17)9-7-12-16/h17H,2-13,16H2,1H3/b17-14+.
What are the key properties of (7-amino-4-iminoheptyl) octanoate?
(7-amino-4-iminoheptyl) octanoate has a molecular weight of 270.42 g/mol, XLogP of 3.43, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4-iminoheptyl) octanoate is sourced from PubChem (CID 174560179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).