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

C10H23NO2 — CID 79567325

IUPAC3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
SMILESCCCOCC(O)C(C)(C)N(C)C
InChIInChI=1S/C10H23NO2/c1-6-7-13-8-9(12)10(2,3)11(4)5/h9,12H,6-8H2,1-5H3
InChIKeyQFODPIHJKYOATE-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.11
Rot. Bonds6

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

3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol (PubChem CID 79567325) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
PubChem CID79567325
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol
SMILESCCCOCC(O)C(C)(C)N(C)C
InChIInChI=1S/C10H23NO2/c1-6-7-13-8-9(12)10(2,3)11(4)5/h9,12H,6-8H2,1-5H3
InChIKeyQFODPIHJKYOATE-UHFFFAOYSA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.11
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)-1-ethoxy-3-methylbutan-2-ol
CID 79567326
3-(diethylamino)-3-methyl-1-propoxybutan-2-ol
CID 79567595
3,3-dimethyl-1-propoxybutan-2-ol
CID 20658603
3-(diethylamino)-3-methyl-1-propoxypentan-2-ol
CID 79567055
1-ethoxy-3-(hydroxymethyl)-3-methoxy-5-propoxypentane-2,4-diol
CID 90731721
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
1-propoxy-3-sulfanylpropan-2-ol
CID 21487431
3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
CID 79573999
3-[5-(dimethylamino)-2-hydroxy-3,3,5-trimethylhexoxy]propane-1,2-diol
CID 129043654
3,3-dimethyl-1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448661
2-N,3-N,3-N-triethyl-3-methyl-1-propoxybutane-2,3-diamine
CID 79574686
1-ethoxy-3-[methyl(2-methylbutan-2-yl)amino]propan-2-ol
CID 63964444

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol?
The IUPAC name of 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol (CID 79567325) is 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol.
What is the SMILES notation for 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol?
The canonical SMILES for 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol is CCCOCC(O)C(C)(C)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol?
The InChIKey is QFODPIHJKYOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-7-13-8-9(12)10(2,3)11(4)5/h9,12H,6-8H2,1-5H3.
What are the key properties of 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol?
3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-methyl-1-propoxybutan-2-ol is sourced from PubChem (CID 79567325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).