1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol

C15H29NO2 — CID 102900059

IUPAC1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC1CCC2(CCCC2)O1)CC(C)(C)O
InChIInChI=1S/C15H29NO2/c1-4-16(12-14(2,3)17)11-13-7-10-15(18-13)8-5-6-9-15/h13,17H,4-12H2,1-3H3
InChIKeyYLIPEYPTYKBSSM-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds5

About 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol

1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol (PubChem CID 102900059) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol
PubChem CID102900059
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol
SMILESCCN(CC1CCC2(CCCC2)O1)CC(C)(C)O
InChIInChI=1S/C15H29NO2/c1-4-16(12-14(2,3)17)11-13-7-10-15(18-13)8-5-6-9-15/h13,17H,4-12H2,1-3H3
InChIKeyYLIPEYPTYKBSSM-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(oxan-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]butan-1-amine
CID 100703854
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102903058
2-[2,2-Difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 107485535
3-[2-(2-Cyclopentylethoxy)propyl]-1-(2-methoxyethyl)pyrrolidine
CID 155008020
10-Methyl-1-oxa-10-azaspiro[4.6]undecane
CID 156482409
2,7-Dimethyl-1-oxa-7-azaspiro[4.4]nonane;ethane
CID 177994392
2-Ethyl-7-methyl-1-oxa-7-azaspiro[4.4]nonane
CID 177995058
[1-[[Methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
[1-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62270760
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62609744
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-ol
CID 62610608
1-Methyl-3-[2-(oxolan-2-yl)ethyl]pyrrolidin-3-ol
CID 65161962

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol (CID 102900059) is 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol is CCN(CC1CCC2(CCCC2)O1)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol?
The InChIKey is YLIPEYPTYKBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-16(12-14(2,3)17)11-13-7-10-15(18-13)8-5-6-9-15/h13,17H,4-12H2,1-3H3.
What are the key properties of 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol?
1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 102900059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).