1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine

C15H29NO3 — CID 103028562

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-14(2,17-3)11-13(16)12-4-7-19-15(10-12)5-8-18-9-6-15/h12-13H,4-11,16H2,1-3H3
InChIKeyDFHSDESATDNEOI-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.10
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028562) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103028562
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO3/c1-14(2,17-3)11-13(16)12-4-7-19-15(10-12)5-8-18-9-6-15/h12-13H,4-11,16H2,1-3H3
InChIKeyDFHSDESATDNEOI-UHFFFAOYSA-N
XLogP2.10
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine (CID 103028562) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is DFHSDESATDNEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-14(2,17-3)11-13(16)12-4-7-19-15(10-12)5-8-18-9-6-15/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 2.10, 4 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)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).