3-(methoxymethyl)-1-methyl-6-propylazocane

C13H27NO — CID 70899502

IUPAC3-(methoxymethyl)-1-methyl-6-propylazocane
SMILESCCCC1CCC(COC)CN(C)CC1
InChIInChI=1S/C13H27NO/c1-4-5-12-6-7-13(11-15-3)10-14(2)9-8-12/h12-13H,4-11H2,1-3H3
InChIKeyAPJQMAAWSFPLHZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.78
Rot. Bonds4

About 3-(methoxymethyl)-1-methyl-6-propylazocane

3-(methoxymethyl)-1-methyl-6-propylazocane (PubChem CID 70899502) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-6-propylazocane.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-6-propylazocane
PubChem CID70899502
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(methoxymethyl)-1-methyl-6-propylazocane
SMILESCCCC1CCC(COC)CN(C)CC1
InChIInChI=1S/C13H27NO/c1-4-5-12-6-7-13(11-15-3)10-14(2)9-8-12/h12-13H,4-11H2,1-3H3
InChIKeyAPJQMAAWSFPLHZ-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58134332
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1-(methoxymethyl)-4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]cyclohexane
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1-methyl-3-propylpyrrolidine;nitric acid
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4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
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3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpropan-1-amine
CID 64570290
1-methyl-3-propylpyrrolidine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171929200
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
(3R)-1-methyl-3-(methylsulfanyloxymethyl)pyrrolidine
CID 139553524
3-(cyclopropylmethyl)-1-methylpyrrolidine
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3-ethyl-1-methylpyrrolidine;methane
CID 161184146

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-6-propylazocane?
The IUPAC name of 3-(methoxymethyl)-1-methyl-6-propylazocane (CID 70899502) is 3-(methoxymethyl)-1-methyl-6-propylazocane.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-6-propylazocane?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-6-propylazocane is CCCC1CCC(COC)CN(C)CC1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-6-propylazocane?
The InChIKey is APJQMAAWSFPLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-12-6-7-13(11-15-3)10-14(2)9-8-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-1-methyl-6-propylazocane?
3-(methoxymethyl)-1-methyl-6-propylazocane has a molecular weight of 213.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-6-propylazocane is sourced from PubChem (CID 70899502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).