2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate

C20H36N2O4 — CID 10248471

IUPAC2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate
SMILESNCC1(CC(=O)OCCOC(=O)CC2(CN)CCCCC2)CCCCC1
InChIInChI=1S/C20H36N2O4/c21-15-19(7-3-1-4-8-19)13-17(23)25-11-12-26-18(24)14-20(16-22)9-5-2-6-10-20/h1-16,21-22H2
InChIKeyXVDOPNDINKCNQH-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.67
Rot. Bonds9

About 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate

2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate (PubChem CID 10248471) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate.

Molecular Properties

Compound Name2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate
PubChem CID10248471
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate
SMILESNCC1(CC(=O)OCCOC(=O)CC2(CN)CCCCC2)CCCCC1
InChIInChI=1S/C20H36N2O4/c21-15-19(7-3-1-4-8-19)13-17(23)25-11-12-26-18(24)14-20(16-22)9-5-2-6-10-20/h1-16,21-22H2
InChIKeyXVDOPNDINKCNQH-UHFFFAOYSA-N
XLogP2.67
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate 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 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate?
The IUPAC name of 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate (CID 10248471) is 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate.
What is the SMILES notation for 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate?
The canonical SMILES for 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate is NCC1(CC(=O)OCCOC(=O)CC2(CN)CCCCC2)CCCCC1.
What is the InChIKey of 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate?
The InChIKey is XVDOPNDINKCNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c21-15-19(7-3-1-4-8-19)13-17(23)25-11-12-26-18(24)14-20(16-22)9-5-2-6-10-20/h1-16,21-22H2.
What are the key properties of 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate?
2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate has a molecular weight of 368.52 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(aminomethyl)cyclohexyl]acetyl]oxyethyl 2-[1-(aminomethyl)cyclohexyl]acetate is sourced from PubChem (CID 10248471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).