1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine

C14H27NO3 — CID 79914979

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO3/c1-15-13(4-3-7-16-2)12-5-8-18-14(10-12)6-9-17-11-14/h12-13,15H,3-11H2,1-2H3
InChIKeyLIQBRSWQVOGWRP-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.59
Rot. Bonds6

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 79914979) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
PubChem CID79914979
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO3/c1-15-13(4-3-7-16-2)12-5-8-18-14(10-12)6-9-17-11-14/h12-13,15H,3-11H2,1-2H3
InChIKeyLIQBRSWQVOGWRP-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
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)-3-methoxy-N-methylbutan-1-amine
CID 113391381
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170350
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559654
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylbut-3-en-1-amine
CID 116660522
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
2-cyclohexylsulfanyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylethanamine
CID 79910267
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
4-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105170822

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine (CID 79914979) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is LIQBRSWQVOGWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-15-13(4-3-7-16-2)12-5-8-18-14(10-12)6-9-17-11-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 1.59, 6 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)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 79914979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).