1,3-diethoxy-3-methylbutan-2-amine

C9H21NO2 — CID 116726159

IUPAC1,3-diethoxy-3-methylbutan-2-amine
SMILESCCOCC(N)C(C)(C)OCC
InChIInChI=1S/C9H21NO2/c1-5-11-7-8(10)9(3,4)12-6-2/h8H,5-7,10H2,1-4H3
InChIKeyLKGDKNSECVXTQD-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.17
Rot. Bonds6

About 1,3-diethoxy-3-methylbutan-2-amine

1,3-diethoxy-3-methylbutan-2-amine (PubChem CID 116726159) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1,3-diethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name1,3-diethoxy-3-methylbutan-2-amine
PubChem CID116726159
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1,3-diethoxy-3-methylbutan-2-amine
SMILESCCOCC(N)C(C)(C)OCC
InChIInChI=1S/C9H21NO2/c1-5-11-7-8(10)9(3,4)12-6-2/h8H,5-7,10H2,1-4H3
InChIKeyLKGDKNSECVXTQD-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethoxy-3,3-difluorobutan-2-amine
CID 170383951
1-ethoxy-3,3-dimethylpentan-2-amine
CID 105008105
(3S)-2-ethoxy-2-methylhexan-3-amine
CID 104932360
3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755
(1,3-diethoxy-3-methylbutan-2-yl)-trimethylsilane
CID 173485738
2-ethoxy-2-methylundecan-3-amine
CID 116726130
1-(4-chlorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726294
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
1-ethoxy-2-(ethoxymethyl)-3-[(2-methylpropan-2-yl)oxy]propane
CID 89011685
2-ethoxy-2,5-dimethylhex-4-en-3-amine
CID 116726324
3-methoxy-3-methyl-1-octoxybutan-2-amine
CID 114228666
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 114166303

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-3-methylbutan-2-amine?
The IUPAC name of 1,3-diethoxy-3-methylbutan-2-amine (CID 116726159) is 1,3-diethoxy-3-methylbutan-2-amine.
What is the SMILES notation for 1,3-diethoxy-3-methylbutan-2-amine?
The canonical SMILES for 1,3-diethoxy-3-methylbutan-2-amine is CCOCC(N)C(C)(C)OCC.
What is the InChIKey of 1,3-diethoxy-3-methylbutan-2-amine?
The InChIKey is LKGDKNSECVXTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-11-7-8(10)9(3,4)12-6-2/h8H,5-7,10H2,1-4H3.
What are the key properties of 1,3-diethoxy-3-methylbutan-2-amine?
1,3-diethoxy-3-methylbutan-2-amine has a molecular weight of 175.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 116726159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).