1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol

C12H25NO3 — CID 116525065

IUPAC1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO3/c1-12(2)5-4-11(16-12)8-10(14)9-13-6-7-15-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyBFTBQSMWLZIPBJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds7

About 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 116525065) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID116525065
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25NO3/c1-12(2)5-4-11(16-12)8-10(14)9-13-6-7-15-3/h10-11,13-14H,4-9H2,1-3H3
InChIKeyBFTBQSMWLZIPBJ-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 116523688
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 116523809
2-cyclopentyl-3-(5,5-dimethyloxolan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 116523832
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 116523652
4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
CID 116523324
1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113317455
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(2-methoxyethylamino)-3-(oxolan-2-ylmethylsulfanyl)propan-2-ol
CID 106494643
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 116525065) is 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CC1CCC(C)(C)O1.
What is the InChIKey of 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is BFTBQSMWLZIPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-12(2)5-4-11(16-12)8-10(14)9-13-6-7-15-3/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 116525065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).