N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C18H35NO2 — CID 103028606

IUPACN-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-19-16(14-17(2,3)20-4)15-9-12-21-18(13-15)10-7-6-8-11-18/h15-16,19H,5-14H2,1-4H3
InChIKeyALCOWQNTGXMZHR-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.91
Rot. Bonds6

About N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 103028606) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID103028606
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H35NO2/c1-5-19-16(14-17(2,3)20-4)15-9-12-21-18(13-15)10-7-6-8-11-18/h15-16,19H,5-14H2,1-4H3
InChIKeyALCOWQNTGXMZHR-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 103028606) is N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is CCNC(CC(C)(C)OC)C1CCOC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is ALCOWQNTGXMZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-5-19-16(14-17(2,3)20-4)15-9-12-21-18(13-15)10-7-6-8-11-18/h15-16,19H,5-14H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 103028606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).