2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol

C13H25NO3 — CID 113476285

IUPAC2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
SMILESCN(CC1COC2(CCCC2)O1)C(C)(C)CO
InChIInChI=1S/C13H25NO3/c1-12(2,10-15)14(3)8-11-9-16-13(17-11)6-4-5-7-13/h11,15H,4-10H2,1-3H3
InChIKeyLRXPUMMETPWSNS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.37
Rot. Bonds4

About 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol

2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol (PubChem CID 113476285) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
PubChem CID113476285
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol
SMILESCN(CC1COC2(CCCC2)O1)C(C)(C)CO
InChIInChI=1S/C13H25NO3/c1-12(2,10-15)14(3)8-11-9-16-13(17-11)6-4-5-7-13/h11,15H,4-10H2,1-3H3
InChIKeyLRXPUMMETPWSNS-UHFFFAOYSA-N
XLogP1.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 79716616
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
2-[cyclopentyl(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)amino]ethanol
CID 62015459
3-propyl-1,4-dioxaspiro[4.4]nonane
CID 14592507
tert-butyl N-(1,4-dioxa-8-azaspiro[4.5]decan-3-ylmethyl)-N-methylcarbamate
CID 19883290
1-[[(3S)-1,4-dioxaspiro[4.11]hexadecan-3-yl]methyl]piperidin-1-ium
CID 7123569
1-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]cyclohexan-1-ol
CID 115773243
2-(1,4-dioxaspiro[4.4]nonan-3-yl)acetonitrile
CID 55270226
1,4-dioxaspiro[4.5]decan-3-ylmethyl-diethyl-methylazanium
CID 3282312
5,8-dioxaspiro[3.4]octan-7-ylmethyl acetate
CID 54401844

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol (CID 113476285) is 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol is CN(CC1COC2(CCCC2)O1)C(C)(C)CO.
What is the InChIKey of 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol?
The InChIKey is LRXPUMMETPWSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,10-15)14(3)8-11-9-16-13(17-11)6-4-5-7-13/h11,15H,4-10H2,1-3H3.
What are the key properties of 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol?
2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dioxaspiro[4.4]nonan-3-ylmethyl(methyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 113476285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).