1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

C16H25NO3 — CID 105170315

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H25NO3/c1-17-15(5-4-14-3-2-8-19-14)13-6-9-20-16(11-13)7-10-18-12-16/h2-3,8,13,15,17H,4-7,9-12H2,1H3
InChIKeyNBWWTRYGRYYMED-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds5

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (PubChem CID 105170315) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
PubChem CID105170315
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccco1)C1CCOC2(CCOC2)C1
InChIInChI=1S/C16H25NO3/c1-17-15(5-4-14-3-2-8-19-14)13-6-9-20-16(11-13)7-10-18-12-16/h2-3,8,13,15,17H,4-7,9-12H2,1H3
InChIKeyNBWWTRYGRYYMED-UHFFFAOYSA-N
XLogP2.39
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-N-methylpentan-1-amine
CID 79911806
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-methylbut-3-en-1-amine
CID 116660522
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
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-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 115346448
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-3-pyridin-2-ylpropan-1-amine
CID 105166307
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559654
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105017181
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79907265

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine (CID 105170315) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine is CNC(CCc1ccco1)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
The InChIKey is NBWWTRYGRYYMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-15(5-4-14-3-2-8-19-14)13-6-9-20-16(11-13)7-10-18-12-16/h2-3,8,13,15,17H,4-7,9-12H2,1H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(furan-2-yl)-N-methylpropan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.39, 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)-3-(furan-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 105170315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).