ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol

C9H21NO2 — CID 177317468

IUPACethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol
SMILESCC.CCNCC1(CO)COC1
InChIInChI=1S/C7H15NO2.C2H6/c1-2-8-3-7(4-9)5-10-6-7;1-2/h8-9H,2-6H2,1H3;1-2H3
InChIKeyCIAZUOICXDFHRX-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.63
Rot. Bonds4

About ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol

ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol (PubChem CID 177317468) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol.

Molecular Properties

Compound Nameethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol
PubChem CID177317468
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Nameethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol
SMILESCC.CCNCC1(CO)COC1
InChIInChI=1S/C7H15NO2.C2H6/c1-2-8-3-7(4-9)5-10-6-7;1-2/h8-9H,2-6H2,1H3;1-2H3
InChIKeyCIAZUOICXDFHRX-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol 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-[(2,2-Dimethylpropyl)amino]propan-1-ol
CID 50986357
3-(3-Hydroxy-2,2-dimethyl-propylamino)-2,2-dimethyl-propan-1-ol
CID 15055101
3-(3-Hydroxypropylamino)-2,2-dimethylpropan-1-ol
CID 19354114
[3-(Methylaminomethyl)oxetan-3-yl]methanol
CID 19967731
2,2-dimethylpropane-1,3-diol;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 20375150
2,2-dimethylpropane-1,3-diol;N-ethylethanamine
CID 20375151
3-[3-(Ethylamino)propoxy]propan-1-ol
CID 20655074
3-[(3-Hydroxy-2-methylpropyl)amino]-2-methylpropan-1-ol
CID 21398230
1-(Ethylamino)-2,2-bis(hydroxymethyl)propane-1,3-diol
CID 23205162
3-(Ethylamino)-2,2-dimethylpropan-1-ol
CID 55286424
3-(Butylamino)-2,2-dimethylpropan-1-ol
CID 57567664
{3-[(Isopropylamino)methyl]oxetan-3-yl}methanol
CID 58006937

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol?
The IUPAC name of ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol (CID 177317468) is ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol.
What is the SMILES notation for ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol?
The canonical SMILES for ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol is CC.CCNCC1(CO)COC1.
What is the InChIKey of ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol?
The InChIKey is CIAZUOICXDFHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-2-8-3-7(4-9)5-10-6-7;1-2/h8-9H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol?
ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol has a molecular weight of 175.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(ethylaminomethyl)oxetan-3-yl]methanol is sourced from PubChem (CID 177317468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).