4-(3-methoxy-3-methylbutoxy)azepane

C12H25NO2 — CID 106668192

IUPAC4-(3-methoxy-3-methylbutoxy)azepane
SMILESCOC(C)(C)CCOC1CCCNCC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)7-10-15-11-5-4-8-13-9-6-11/h11,13H,4-10H2,1-3H3
InChIKeyHQBWUPNBVDNKJN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds5

About 4-(3-methoxy-3-methylbutoxy)azepane

4-(3-methoxy-3-methylbutoxy)azepane (PubChem CID 106668192) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)azepane.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)azepane
PubChem CID106668192
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(3-methoxy-3-methylbutoxy)azepane
SMILESCOC(C)(C)CCOC1CCCNCC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)7-10-15-11-5-4-8-13-9-6-11/h11,13H,4-10H2,1-3H3
InChIKeyHQBWUPNBVDNKJN-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-3-methylbutoxy)piperidine
CID 59527126
2-[(4R)-azepan-4-yl]oxyethanamine;ethane
CID 144754813
4-(2-fluoroethoxy)azepane
CID 84651254
4-[2-(3-methoxypropoxy)ethoxy]azepane
CID 103175847
4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one
CID 103033788
4-(4-methylpentoxy)azepane
CID 63904463
4-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 103032588
2-methyl-4-piperidin-3-yloxybutan-2-ol
CID 79355379
4-(3,3,3-trifluoropropoxy)piperidine;hydrochloride
CID 86775442
4-(2-cyclopentyloxyethyl)piperidine
CID 43149930
N-(2-piperidin-4-yloxyethyl)cyclopropanamine
CID 63903398
1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
CID 106666723

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)azepane?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)azepane (CID 106668192) is 4-(3-methoxy-3-methylbutoxy)azepane.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)azepane?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)azepane is COC(C)(C)CCOC1CCCNCC1.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)azepane?
The InChIKey is HQBWUPNBVDNKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14-3)7-10-15-11-5-4-8-13-9-6-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)azepane?
4-(3-methoxy-3-methylbutoxy)azepane has a molecular weight of 215.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)azepane is sourced from PubChem (CID 106668192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).