1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C16H29NO3 — CID 103559654

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H29NO3/c1-17-14(11-15(18-2)5-3-6-15)13-4-8-20-16(10-13)7-9-19-12-16/h13-14,17H,3-12H2,1-2H3
InChIKeyCESLOSDKXLKFSI-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103559654) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103559654
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H29NO3/c1-17-14(11-15(18-2)5-3-6-15)13-4-8-20-16(10-13)7-9-19-12-16/h13-14,17H,3-12H2,1-2H3
InChIKeyCESLOSDKXLKFSI-UHFFFAOYSA-N
XLogP2.12
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1-methoxycyclobutyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103559593
2-cyclohexylsulfanyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylethanamine
CID 79910267
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-N-methylbutan-1-amine
CID 113391381
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
CID 79914979
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
[2-(1-methoxycyclobutyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]hydrazine
CID 103560547
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105017181
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-2-methylsulfanylethanamine
CID 79915523

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103559654) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is CESLOSDKXLKFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-17-14(11-15(18-2)5-3-6-15)13-4-8-20-16(10-13)7-9-19-12-16/h13-14,17H,3-12H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 283.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103559654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).