3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine

C18H35NO2 — CID 103028612

IUPAC3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-11-19-16(14-17(2,3)20-4)15-8-12-21-18(13-15)9-6-7-10-18/h15-16,19H,5-14H2,1-4H3
InChIKeyWENGFSNLYLVRQH-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.91
Rot. Bonds7

About 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine

3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine (PubChem CID 103028612) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
PubChem CID103028612
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)(C)OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-11-19-16(14-17(2,3)20-4)15-8-12-21-18(13-15)9-6-7-10-18/h15-16,19H,5-14H2,1-4H3
InChIKeyWENGFSNLYLVRQH-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]-4-methylcyclohexanamine
CID 4911193
2-methoxy-2,6-dimethyl-N-propylnonan-4-amine
CID 103025131
4-methoxy-N,4-dimethyl-1-(oxan-4-yl)pentan-2-amine
CID 103025141
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)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103028564
3-methoxy-N,3-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028604
N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 103028606
3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 103028610

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine (CID 103028612) is 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine is CCCNC(CC(C)(C)OC)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
The InChIKey is WENGFSNLYLVRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-11-19-16(14-17(2,3)20-4)15-8-12-21-18(13-15)9-6-7-10-18/h15-16,19H,5-14H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine?
3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 103028612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).