6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol

C10H19NO2 — CID 169259142

IUPAC6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
SMILESCC(C)NCC1(O)COC2(CC2)C1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-9(12)5-10(3-4-10)13-7-9/h8,11-12H,3-7H2,1-2H3
InChIKeyZZPVCVRYMYNUKT-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds3

About 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol

6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol (PubChem CID 169259142) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol.

Molecular Properties

Compound Name6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
PubChem CID169259142
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
SMILESCC(C)NCC1(O)COC2(CC2)C1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-9(12)5-10(3-4-10)13-7-9/h8,11-12H,3-7H2,1-2H3
InChIKeyZZPVCVRYMYNUKT-UHFFFAOYSA-N
XLogP0.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
2-Methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 107270740
3-[(Propan-2-ylamino)methyl]oxolan-3-ol
CID 63333474
(4-Oxaspiro[2,4]heptane-6-yl)aminopropanol
CID 67296698
3-(4-Oxaspiro[2.4]heptan-6-ylamino)propan-1-ol
CID 67296700
(2R,3S,4S,5S)-2-methoxy-5-propan-2-ylpyrrolidine-3,4-diol
CID 130443589
2-(1-Methylcyclopropyl)oxy-1-pyrrolidin-2-ylethanol
CID 164131944
(3S)-3-[(propan-2-ylamino)methyl]oxolan-3-ol
CID 169259112
(6R)-6-[(cyclopropylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
CID 169259164
(6R)-6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol
CID 169259518
Ethane;6-(methylaminomethyl)-4-oxaspiro[2.4]heptan-6-ol
CID 169259661
(3R)-3-[(propan-2-ylamino)methyl]oxolan-3-ol
CID 170365328

Frequently Asked Questions

What is the IUPAC name of 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
The IUPAC name of 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol (CID 169259142) is 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol.
What is the SMILES notation for 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
The canonical SMILES for 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol is CC(C)NCC1(O)COC2(CC2)C1.
What is the InChIKey of 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
The InChIKey is ZZPVCVRYMYNUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-6-9(12)5-10(3-4-10)13-7-9/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol?
6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol has a molecular weight of 185.27 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(propan-2-ylamino)methyl]-4-oxaspiro[2.4]heptan-6-ol is sourced from PubChem (CID 169259142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).