2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C16H29NO — CID 103169206

IUPAC2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCNC(CC1CCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO/c1-17-15(11-13-5-4-6-13)14-7-10-18-16(12-14)8-2-3-9-16/h13-15,17H,2-12H2,1H3
InChIKeyGBADFJJVQOXDAZ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.50
Rot. Bonds4

About 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 103169206) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID103169206
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCNC(CC1CCC1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C16H29NO/c1-17-15(11-13-5-4-6-13)14-7-10-18-16(12-14)8-2-3-9-16/h13-15,17H,2-12H2,1H3
InChIKeyGBADFJJVQOXDAZ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(thian-4-yl)ethanamine
CID 105166263
2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105170225
2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
2-(3-ethoxycyclobutyl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 103169207
[2-cycloheptyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]hydrazine
CID 105322163
2-methoxy-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79915502
4-methoxy-N,3-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 105170251
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
N,3,4,4-tetramethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-amine
CID 105010327
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)-3-propoxypropan-1-amine
CID 105169809
1-(6-oxaspiro[4.5]decan-9-yl)but-3-enylhydrazine
CID 105269800
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 103169206) is 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CNC(CC1CCC1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is GBADFJJVQOXDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-17-15(11-13-5-4-6-13)14-7-10-18-16(12-14)8-2-3-9-16/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 251.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 103169206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).