4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol

C15H27NO3 — CID 81131372

IUPAC4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
SMILESCCOC1CC(NCC2(O)CCOCC2)C12CCC2
InChIInChI=1S/C15H27NO3/c1-2-19-13-10-12(15(13)4-3-5-15)16-11-14(17)6-8-18-9-7-14/h12-13,16-17H,2-11H2,1H3
InChIKeyQDBYJEBKHSYUJM-UHFFFAOYSA-N
MW269.38 g/mol
LogP1.47
Rot. Bonds5

About 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol

4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol (PubChem CID 81131372) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
PubChem CID81131372
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
SMILESCCOC1CC(NCC2(O)CCOCC2)C12CCC2
InChIInChI=1S/C15H27NO3/c1-2-19-13-10-12(15(13)4-3-5-15)16-11-14(17)6-8-18-9-7-14/h12-13,16-17H,2-11H2,1H3
InChIKeyQDBYJEBKHSYUJM-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol with MolForge

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Related Compounds

3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270579
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
CID 112554599
N-[(1-cyclopropylcyclopropyl)methyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 103922024
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130600
tert-butyl N-[1-[(4-hydroxyoxan-4-yl)methylamino]spiro[3.3]heptan-3-yl]carbamate
CID 154735224
3-ethoxy-N-pentylspiro[3.3]heptan-1-amine
CID 65295029
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-N,N-dimethylacetamide
CID 65295630
6-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexan-1-ol
CID 113352285
3-ethoxy-N-[(1-methylsulfanylcyclopropyl)methyl]spiro[3.5]nonan-1-amine
CID 107269977
1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,2-difluoropropan-1-ol
CID 104860510

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol (CID 81131372) is 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol is CCOC1CC(NCC2(O)CCOCC2)C12CCC2.
What is the InChIKey of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol?
The InChIKey is QDBYJEBKHSYUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-19-13-10-12(15(13)4-3-5-15)16-11-14(17)6-8-18-9-7-14/h12-13,16-17H,2-11H2,1H3.
What are the key properties of 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol?
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol has a molecular weight of 269.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81131372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).