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

C17H33NO3 — CID 103028564

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO3/c1-5-18-15(13-16(2,3)19-4)14-6-9-21-17(12-14)7-10-20-11-8-17/h14-15,18H,5-13H2,1-4H3
InChIKeyKBYKRNIEXWFMGV-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.76
Rot. Bonds6

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

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 103028564) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID103028564
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H33NO3/c1-5-18-15(13-16(2,3)19-4)14-6-9-21-17(12-14)7-10-20-11-8-17/h14-15,18H,5-13H2,1-4H3
InChIKeyKBYKRNIEXWFMGV-UHFFFAOYSA-N
XLogP2.76
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
4-Fluoro-2-[2-(piperidin-4-ylmethoxy)propyl]-4-(propan-2-yloxymethyl)piperidine
CID 134502399
N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]-4-methylcyclohexanamine
CID 4911193
3-methoxy-N,3-dimethyl-1-(oxan-4-yl)butan-1-amine
CID 103027181
N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yl)butan-1-amine
CID 103027183
N-ethyl-3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 103028542
3-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-N-propylbutan-1-amine
CID 103028543
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103028561
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103028562
3-methoxy-N,3-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028604
3-Methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028605
N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028606

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 103028564) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is KBYKRNIEXWFMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-5-18-15(13-16(2,3)19-4)14-6-9-21-17(12-14)7-10-20-11-8-17/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 299.45 g/mol, XLogP of 2.76, 6 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-ethyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103028564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).