1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol

C12H25NO3 — CID 110877523

IUPAC1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCN(CC)CC(O)COCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-3-13(4-2)8-11(14)9-15-10-12-6-5-7-16-12/h11-12,14H,3-10H2,1-2H3
InChIKeyUEEBAXRPONMPNH-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.88
Rot. Bonds8

About 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol

1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 110877523) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID110877523
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCN(CC)CC(O)COCC1CCCO1
InChIInChI=1S/C12H25NO3/c1-3-13(4-2)8-11(14)9-15-10-12-6-5-7-16-12/h11-12,14H,3-10H2,1-2H3
InChIKeyUEEBAXRPONMPNH-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631
1-chloro-3-(oxan-2-ylmethoxy)propan-2-ol
CID 112560571
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
1-(oxolan-2-ylmethoxy)-3-(N,2,3-trimethylanilino)propan-2-ol
CID 110900484
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
(2R)-1-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 124799203
(2S)-1-[methyl(1,3-thiazol-4-ylmethyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 95044295
1-[methyl(naphthalen-2-yl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 78827395
1-(diethylamino)-3-(oxan-2-ylmethylamino)propan-2-ol
CID 55014004
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 110877523) is 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol is CCN(CC)CC(O)COCC1CCCO1.
What is the InChIKey of 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is UEEBAXRPONMPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-3-13(4-2)8-11(14)9-15-10-12-6-5-7-16-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110877523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).