2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol

C14H27NO3 — CID 107865302

IUPAC2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO3/c1-2-13(10-16,11-17)15-9-12-5-8-14(18-12)6-3-4-7-14/h12,15-17H,2-11H2,1H3
InChIKeyZDPTXBIZNNELRM-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.20
Rot. Bonds6

About 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol

2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol (PubChem CID 107865302) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
PubChem CID107865302
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H27NO3/c1-2-13(10-16,11-17)15-9-12-5-8-14(18-12)6-3-4-7-14/h12,15-17H,2-11H2,1H3
InChIKeyZDPTXBIZNNELRM-UHFFFAOYSA-N
XLogP1.20
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol
CID 102897666
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol (CID 107865302) is 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol is CCC(CO)(CO)NCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol?
The InChIKey is ZDPTXBIZNNELRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-2-13(10-16,11-17)15-9-12-5-8-14(18-12)6-3-4-7-14/h12,15-17H,2-11H2,1H3.
What are the key properties of 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol?
2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol has a molecular weight of 257.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propane-1,3-diol is sourced from PubChem (CID 107865302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).