2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

C17H29NO2 — CID 116575346

IUPAC2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCNC1(CC(=O)C2CCOC3(CCC3)C2)CCCCC1
InChIInChI=1S/C17H29NO2/c1-18-16(7-3-2-4-8-16)13-15(19)14-6-11-20-17(12-14)9-5-10-17/h14,18H,2-13H2,1H3
InChIKeyCCKLHCBVVZLBAL-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.22
Rot. Bonds4

About 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone

2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (PubChem CID 116575346) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
PubChem CID116575346
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
SMILESCNC1(CC(=O)C2CCOC3(CCC3)C2)CCCCC1
InChIInChI=1S/C17H29NO2/c1-18-16(7-3-2-4-8-16)13-15(19)14-6-11-20-17(12-14)9-5-10-17/h14,18H,2-13H2,1H3
InChIKeyCCKLHCBVVZLBAL-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone with MolForge

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)-2-(prop-2-ynylamino)ethanone
CID 116589412
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076
2-butan-2-ylsulfanyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanone
CID 79921882
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone (CID 116575346) is 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is CNC1(CC(=O)C2CCOC3(CCC3)C2)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
The InChIKey is CCKLHCBVVZLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-18-16(7-3-2-4-8-16)13-15(19)14-6-11-20-17(12-14)9-5-10-17/h14,18H,2-13H2,1H3.
What are the key properties of 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone?
2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone has a molecular weight of 279.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone is sourced from PubChem (CID 116575346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).