3-(2-methoxypropyl)azepane

C10H21NO — CID 104680705

IUPAC3-(2-methoxypropyl)azepane
SMILESCOC(C)CC1CCCCNC1
InChIInChI=1S/C10H21NO/c1-9(12-2)7-10-5-3-4-6-11-8-10/h9-11H,3-8H2,1-2H3
InChIKeyPUCZTBOEZGMHIV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About 3-(2-methoxypropyl)azepane

3-(2-methoxypropyl)azepane (PubChem CID 104680705) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(2-methoxypropyl)azepane.

Molecular Properties

Compound Name3-(2-methoxypropyl)azepane
PubChem CID104680705
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(2-methoxypropyl)azepane
SMILESCOC(C)CC1CCCCNC1
InChIInChI=1S/C10H21NO/c1-9(12-2)7-10-5-3-4-6-11-8-10/h9-11H,3-8H2,1-2H3
InChIKeyPUCZTBOEZGMHIV-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)-azacyclododecane
CID 18705357
3-(2-methylpropyl)azecane
CID 91499893
3-(2,3-dimethylbutyl)azepane
CID 155298331
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
(3S)-3-(2-methoxyethyl)azepane
CID 97297954
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
3-ethylazepane;2-methylpropanal
CID 145487003
3-(2-cyclobutylpropyl)piperidine
CID 130987572
3-ethylazonane
CID 154533924
3-[2-(2-methylphenoxy)propyl]piperidine
CID 105493581
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
3-(2-ethylhexyl)azepane
CID 104680647

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypropyl)azepane?
The IUPAC name of 3-(2-methoxypropyl)azepane (CID 104680705) is 3-(2-methoxypropyl)azepane.
What is the SMILES notation for 3-(2-methoxypropyl)azepane?
The canonical SMILES for 3-(2-methoxypropyl)azepane is COC(C)CC1CCCCNC1.
What is the InChIKey of 3-(2-methoxypropyl)azepane?
The InChIKey is PUCZTBOEZGMHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(12-2)7-10-5-3-4-6-11-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(2-methoxypropyl)azepane?
3-(2-methoxypropyl)azepane has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypropyl)azepane is sourced from PubChem (CID 104680705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).