1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine

C15H27NO3 — CID 79911771

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(C1CCOC2(CCOCC2)C1)C1CCCO1
InChIInChI=1S/C15H27NO3/c1-16-14(13-3-2-7-18-13)12-4-8-19-15(11-12)5-9-17-10-6-15/h12-14,16H,2-11H2,1H3
InChIKeySWIVKKKIDRHMKK-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.73
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 79911771) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID79911771
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCNC(C1CCOC2(CCOCC2)C1)C1CCCO1
InChIInChI=1S/C15H27NO3/c1-16-14(13-3-2-7-18-13)12-4-8-19-15(11-12)5-9-17-10-6-15/h12-14,16H,2-11H2,1H3
InChIKeySWIVKKKIDRHMKK-UHFFFAOYSA-N
XLogP1.73
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-yl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 115824800
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(thian-2-yl)methanamine
CID 80627564
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105012176
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
[cyclopentyl(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105204290
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 79911605
2,6-dioxaspiro[4.5]decan-9-yl(oxolan-2-yl)methanamine
CID 79910992
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016820
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N,2,3-trimethylbutan-1-amine
CID 105012068
N-methyl-1-(5-methyloxolan-3-yl)-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016944
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine (CID 79911771) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine is CNC(C1CCOC2(CCOCC2)C1)C1CCCO1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is SWIVKKKIDRHMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-16-14(13-3-2-7-18-13)12-4-8-19-15(11-12)5-9-17-10-6-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 269.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 79911771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).