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

C16H31NO3 — CID 103028561

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H31NO3/c1-15(2,18-4)12-14(17-3)13-5-8-20-16(11-13)6-9-19-10-7-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRKZDVJQHVVYGCY-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.37
Rot. Bonds5

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 103028561) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine
PubChem CID103028561
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H31NO3/c1-15(2,18-4)12-14(17-3)13-5-8-20-16(11-13)6-9-19-10-7-16/h13-14,17H,5-12H2,1-4H3
InChIKeyRKZDVJQHVVYGCY-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.37
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-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine (CID 103028561) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine is CNC(CC(C)(C)OC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is RKZDVJQHVVYGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-15(2,18-4)12-14(17-3)13-5-8-20-16(11-13)6-9-19-10-7-16/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 2.37, 5 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-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 103028561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).