3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol

C14H25NO2 — CID 102897450

IUPAC3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C14H25NO2/c16-12-7-11(8-12)9-15-10-13-3-6-14(17-13)4-1-2-5-14/h11-13,15-16H,1-10H2
InChIKeyXGEGHUQGXRNEGF-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.84
Rot. Bonds4

About 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol

3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol (PubChem CID 102897450) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
PubChem CID102897450
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
SMILESOC1CC(CNCC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C14H25NO2/c16-12-7-11(8-12)9-15-10-13-3-6-14(17-13)4-1-2-5-14/h11-13,15-16H,1-10H2
InChIKeyXGEGHUQGXRNEGF-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol with MolForge

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Related Compounds

3-[(1-oxaspiro[4.5]decan-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 106132555
1-(1-methylpyrrolidin-3-yl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)methanamine
CID 102896883
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479
2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
CID 102897807
2-cyclobutyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897828
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
CID 102897486

Frequently Asked Questions

What is the IUPAC name of 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol (CID 102897450) is 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol is OC1CC(CNCC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol?
The InChIKey is XGEGHUQGXRNEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-12-7-11(8-12)9-15-10-13-3-6-14(17-13)4-1-2-5-14/h11-13,15-16H,1-10H2.
What are the key properties of 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol?
3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 102897450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).