3-(diethylamino)-3-methyl-1-propoxybutan-2-ol

C12H27NO2 — CID 79567595

IUPAC3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
SMILESCCCOCC(O)C(C)(C)N(CC)CC
InChIInChI=1S/C12H27NO2/c1-6-9-15-10-11(14)12(4,5)13(7-2)8-3/h11,14H,6-10H2,1-5H3
InChIKeyOPIQLRNKXJCWNX-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.89
Rot. Bonds8

About 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol

3-(diethylamino)-3-methyl-1-propoxybutan-2-ol (PubChem CID 79567595) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
PubChem CID79567595
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
SMILESCCCOCC(O)C(C)(C)N(CC)CC
InChIInChI=1S/C12H27NO2/c1-6-9-15-10-11(14)12(4,5)13(7-2)8-3/h11,14H,6-10H2,1-5H3
InChIKeyOPIQLRNKXJCWNX-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567325
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
CID 79574686
2-(diethylamino)-2-methyldecan-3-ol
CID 79053549
3-(dimethylamino)-1-ethoxy-3-methylbutan-2-ol
CID 79567326
3-(diethylamino)-1-ethoxy-3-ethylpentan-2-ol
CID 79568434
2-(diethylamino)-2,5,7-trimethyloctan-3-ol
CID 114200733
1-ethoxy-3-(hydroxymethyl)-3-methoxy-5-propoxypentane-2,4-diol
CID 90731721
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
2-(diethylamino)-2,4-dimethylpentan-3-ol
CID 79053951
1-propoxy-3-sulfanylpropan-2-ol
CID 21487431

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol?
The IUPAC name of 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol (CID 79567595) is 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol is CCCOCC(O)C(C)(C)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol?
The InChIKey is OPIQLRNKXJCWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-9-15-10-11(14)12(4,5)13(7-2)8-3/h11,14H,6-10H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol?
3-(diethylamino)-3-methyl-1-propoxybutan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyl-1-propoxybutan-2-ol is sourced from PubChem (CID 79567595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).