2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol

C15H29NO2 — CID 102848103

IUPAC2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol
SMILESCN(CC1CCC2(CCCCC2)O1)CC(C)(C)O
InChIInChI=1S/C15H29NO2/c1-14(2,17)12-16(3)11-13-7-10-15(18-13)8-5-4-6-9-15/h13,17H,4-12H2,1-3H3
InChIKeyBMLIUGCWVHYSKV-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.57
Rot. Bonds4

About 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol

2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol (PubChem CID 102848103) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol
PubChem CID102848103
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol
SMILESCN(CC1CCC2(CCCCC2)O1)CC(C)(C)O
InChIInChI=1S/C15H29NO2/c1-14(2,17)12-16(3)11-13-7-10-15(18-13)8-5-4-6-9-15/h13,17H,4-12H2,1-3H3
InChIKeyBMLIUGCWVHYSKV-UHFFFAOYSA-N
XLogP2.57
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102848142
2-[2,2-Difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 107485738
9-Methyl-1-oxa-9-azaspiro[4.5]decane
CID 67987651
9-Ethyl-1-oxa-9-azaspiro[4.5]decane
CID 123211534
Ethane;9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 145687411
Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane
CID 153357238
10-Methyl-1-oxa-10-azaspiro[4.6]undecane
CID 156482409
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
Ethane;9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 168251878
1-Methyl-6-propan-2-yloxy-1-azaspiro[4.5]decane
CID 177126304
[1-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexyl]methanol
CID 55055183

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol (CID 102848103) is 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol is CN(CC1CCC2(CCCCC2)O1)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol?
The InChIKey is BMLIUGCWVHYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,17)12-16(3)11-13-7-10-15(18-13)8-5-4-6-9-15/h13,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol?
2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 102848103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).