3-ethyl-3-methoxy-1-methylazepane

C10H21NO — CID 24974913

IUPAC3-ethyl-3-methoxy-1-methylazepane
SMILESCCC1(OC)CCCCN(C)C1
InChIInChI=1S/C10H21NO/c1-4-10(12-3)7-5-6-8-11(2)9-10/h4-9H2,1-3H3
InChIKeyGZQDGDXLBVZIKT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds2

About 3-ethyl-3-methoxy-1-methylazepane

3-ethyl-3-methoxy-1-methylazepane (PubChem CID 24974913) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-methylazepane.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-methylazepane
PubChem CID24974913
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-ethyl-3-methoxy-1-methylazepane
SMILESCCC1(OC)CCCCN(C)C1
InChIInChI=1S/C10H21NO/c1-4-10(12-3)7-5-6-8-11(2)9-10/h4-9H2,1-3H3
InChIKeyGZQDGDXLBVZIKT-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105435284
1-ethyl-1-methoxycyclohexane
CID 21039859
1,3-diethyl-3-methoxypiperidine
CID 153193773
1-(3-ethoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105442315
1,3,3-trimethylazepane
CID 18711354
3-ethyl-3-(methoxymethyl)-1-methylpyrrolidine
CID 130347228
(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
methyl 2-(3-amino-1-methylazepan-3-yl)acetate
CID 83908328
methoxyethane;1-methylpyrrolidine
CID 90838943
methoxymethane;1-methylpiperidine;propane
CID 143876527
ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide
CID 145148035
N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]-N-methylpropan-2-amine
CID 165404567

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-methylazepane?
The IUPAC name of 3-ethyl-3-methoxy-1-methylazepane (CID 24974913) is 3-ethyl-3-methoxy-1-methylazepane.
What is the SMILES notation for 3-ethyl-3-methoxy-1-methylazepane?
The canonical SMILES for 3-ethyl-3-methoxy-1-methylazepane is CCC1(OC)CCCCN(C)C1.
What is the InChIKey of 3-ethyl-3-methoxy-1-methylazepane?
The InChIKey is GZQDGDXLBVZIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(12-3)7-5-6-8-11(2)9-10/h4-9H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-1-methylazepane?
3-ethyl-3-methoxy-1-methylazepane has a molecular weight of 171.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-methylazepane is sourced from PubChem (CID 24974913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).