1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine

C14H27NO3 — CID 79911538

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)C(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,16-3)12(15)11-4-7-18-14(10-11)5-8-17-9-6-14/h11-12H,4-10,15H2,1-3H3
InChIKeySTTPVXSJFNGQFB-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.71
Rot. Bonds3

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine (PubChem CID 79911538) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
PubChem CID79911538
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)C(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,16-3)12(15)11-4-7-18-14(10-11)5-8-17-9-6-14/h11-12H,4-10,15H2,1-3H3
InChIKeySTTPVXSJFNGQFB-UHFFFAOYSA-N
XLogP1.71
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764435
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxy-2-methylpropan-1-ol
CID 116713568
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine (CID 79911538) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine is COC(C)(C)C(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine?
The InChIKey is STTPVXSJFNGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,16-3)12(15)11-4-7-18-14(10-11)5-8-17-9-6-14/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methoxy-2-methylpropan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 1.71, 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)-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 79911538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).