4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

C14H27NO2 — CID 105166209

IUPAC4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCOCC(C)CC(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-11(10-16-2)8-13(15)12-4-7-17-14(9-12)5-3-6-14/h11-13H,3-10,15H2,1-2H3
InChIKeyHPLGQKJFKRAMSE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.34
Rot. Bonds5

About 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (PubChem CID 105166209) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
PubChem CID105166209
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESCOCC(C)CC(N)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H27NO2/c1-11(10-16-2)8-13(15)12-4-7-17-14(9-12)5-3-6-14/h11-13H,3-10,15H2,1-2H3
InChIKeyHPLGQKJFKRAMSE-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105113903
2-amino-2-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 79922665
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
1-cyclohexyl-4-methoxy-3-methylbutan-1-amine
CID 105079501
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 114211655
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (CID 105166209) is 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is COCC(C)CC(N)C1CCOC2(CCC2)C1.
What is the InChIKey of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The InChIKey is HPLGQKJFKRAMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(10-16-2)8-13(15)12-4-7-17-14(9-12)5-3-6-14/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is sourced from PubChem (CID 105166209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).