3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol

C15H27NO3 — CID 107270579

IUPAC3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCCOC1CC(NCC2(O)CCOC2C)C12CCC2
InChIInChI=1S/C15H27NO3/c1-3-18-13-9-12(14(13)5-4-6-14)16-10-15(17)7-8-19-11(15)2/h11-13,16-17H,3-10H2,1-2H3
InChIKeyXXFYZCLAPUHMNC-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.46
Rot. Bonds5

About 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 107270579) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID107270579
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol
SMILESCCOC1CC(NCC2(O)CCOC2C)C12CCC2
InChIInChI=1S/C15H27NO3/c1-3-18-13-9-12(14(13)5-4-6-14)16-10-15(17)7-8-19-11(15)2/h11-13,16-17H,3-10H2,1-2H3
InChIKeyXXFYZCLAPUHMNC-UHFFFAOYSA-N
XLogP1.46
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
CID 81131372
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
2-[2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]ethoxy]ethanol
CID 64862901
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510
N-(2-chloroprop-2-enyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 115906347
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103922024
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
CID 107269977
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
CID 114078738

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol (CID 107270579) is 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol is CCOC1CC(NCC2(O)CCOC2C)C12CCC2.
What is the InChIKey of 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is XXFYZCLAPUHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-18-13-9-12(14(13)5-4-6-14)16-10-15(17)7-8-19-11(15)2/h11-13,16-17H,3-10H2,1-2H3.
What are the key properties of 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 269.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 107270579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).