1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine

C14H27NO3 — CID 103028614

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,16-3)9-12(15)11-4-6-18-14(8-11)5-7-17-10-14/h11-12H,4-10,15H2,1-3H3
InChIKeyRUWJNKDBNIKLJT-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.71
Rot. Bonds4

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028614) 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)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103028614
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H27NO3/c1-13(2,16-3)9-12(15)11-4-6-18-14(8-11)5-7-17-10-14/h11-12H,4-10,15H2,1-3H3
InChIKeyRUWJNKDBNIKLJT-UHFFFAOYSA-N
XLogP1.71
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine (CID 103028614) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CC(N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is RUWJNKDBNIKLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-13(2,16-3)9-12(15)11-4-6-18-14(8-11)5-7-17-10-14/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 1.71, 4 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-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).