3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C16H31NO2 — CID 103028610

IUPAC3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-15(2,18-4)12-14(17-3)13-7-10-19-16(11-13)8-5-6-9-16/h13-14,17H,5-12H2,1-4H3
InChIKeyTWVXWENIWZOBDG-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds5

About 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 103028610) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID103028610
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCNC(CC(C)(C)OC)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H31NO2/c1-15(2,18-4)12-14(17-3)13-7-10-19-16(11-13)8-5-6-9-16/h13-14,17H,5-12H2,1-4H3
InChIKeyTWVXWENIWZOBDG-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 103028610) is 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is CNC(CC(C)(C)OC)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is TWVXWENIWZOBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,18-4)12-14(17-3)13-7-10-19-16(11-13)8-5-6-9-16/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 103028610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).