3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol

C12H25NO2 — CID 116523456

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-4-13(8-5-9-14)10-11-6-7-12(2,3)15-11/h11,14H,4-10H2,1-3H3
InChIKeyUEXUFTGIUMMDQM-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.65
Rot. Bonds6

About 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol

3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol (PubChem CID 116523456) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
PubChem CID116523456
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO2/c1-4-13(8-5-9-14)10-11-6-7-12(2,3)15-11/h11,14H,4-10H2,1-3H3
InChIKeyUEXUFTGIUMMDQM-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
N-[(5,5-dimethyloxolan-2-yl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 116522907
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 116520960
N'-[(5,5-dimethyloxolan-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 116520965
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
CID 116522700
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol (CID 116523456) is 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol is CCN(CCCO)CC1CCC(C)(C)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol?
The InChIKey is UEXUFTGIUMMDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-13(8-5-9-14)10-11-6-7-12(2,3)15-11/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol?
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 116523456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).