4-[2-(3-methoxypropoxy)ethoxy]azepane

C12H25NO3 — CID 103175847

IUPAC4-[2-(3-methoxypropoxy)ethoxy]azepane
SMILESCOCCCOCCOC1CCCNCC1
InChIInChI=1S/C12H25NO3/c1-14-8-3-9-15-10-11-16-12-4-2-6-13-7-5-12/h12-13H,2-11H2,1H3
InChIKeyMVSIGENTWAOLMQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds8

About 4-[2-(3-methoxypropoxy)ethoxy]azepane

4-[2-(3-methoxypropoxy)ethoxy]azepane (PubChem CID 103175847) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-[2-(3-methoxypropoxy)ethoxy]azepane.

Molecular Properties

Compound Name4-[2-(3-methoxypropoxy)ethoxy]azepane
PubChem CID103175847
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name4-[2-(3-methoxypropoxy)ethoxy]azepane
SMILESCOCCCOCCOC1CCCNCC1
InChIInChI=1S/C12H25NO3/c1-14-8-3-9-15-10-11-16-12-4-2-6-13-7-5-12/h12-13H,2-11H2,1H3
InChIKeyMVSIGENTWAOLMQ-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]piperidine;hydrochloride
CID 118540846
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
CID 103178763
4-(4-methylpentoxy)azepane
CID 63904463
3-methoxypropoxycyclooctane
CID 68608033
2-[(4R)-azepan-4-yl]oxyethanamine;ethane
CID 144754813
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
3-(2-butoxyethoxy)piperidine
CID 55151121
4-(2-fluoroethoxy)azepane
CID 84651254
3-(2-methoxyethoxy)pyrrolidine
CID 18337162
2-methoxyethoxycyclohexane
CID 20550469
2-butoxyethoxycyclobutane
CID 150038799
N-[3-(2-methoxyethoxy)propyl]piperidin-4-amine
CID 61016689

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]azepane?
The IUPAC name of 4-[2-(3-methoxypropoxy)ethoxy]azepane (CID 103175847) is 4-[2-(3-methoxypropoxy)ethoxy]azepane.
What is the SMILES notation for 4-[2-(3-methoxypropoxy)ethoxy]azepane?
The canonical SMILES for 4-[2-(3-methoxypropoxy)ethoxy]azepane is COCCCOCCOC1CCCNCC1.
What is the InChIKey of 4-[2-(3-methoxypropoxy)ethoxy]azepane?
The InChIKey is MVSIGENTWAOLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-14-8-3-9-15-10-11-16-12-4-2-6-13-7-5-12/h12-13H,2-11H2,1H3.
What are the key properties of 4-[2-(3-methoxypropoxy)ethoxy]azepane?
4-[2-(3-methoxypropoxy)ethoxy]azepane has a molecular weight of 231.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxypropoxy)ethoxy]azepane is sourced from PubChem (CID 103175847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).