1,1-diethoxy-2,2-dimethylpropan-1-amine

C9H21NO2 — CID 174896219

IUPAC1,1-diethoxy-2,2-dimethylpropan-1-amine
SMILESCCOC(N)(OCC)C(C)(C)C
InChIInChI=1S/C9H21NO2/c1-6-11-9(10,12-7-2)8(3,4)5/h6-7,10H2,1-5H3
InChIKeyDSEGFNFBAAGXSB-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.72
Rot. Bonds4

About 1,1-diethoxy-2,2-dimethylpropan-1-amine

1,1-diethoxy-2,2-dimethylpropan-1-amine (PubChem CID 174896219) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1,1-diethoxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,1-diethoxy-2,2-dimethylpropan-1-amine
PubChem CID174896219
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1,1-diethoxy-2,2-dimethylpropan-1-amine
SMILESCCOC(N)(OCC)C(C)(C)C
InChIInChI=1S/C9H21NO2/c1-6-11-9(10,12-7-2)8(3,4)5/h6-7,10H2,1-5H3
InChIKeyDSEGFNFBAAGXSB-UHFFFAOYSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2,2-triethoxy-1-silylpropan-1-amine
CID 173454722
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
3-ethoxypentan-3-amine
CID 87385378
1,1-diethoxypropan-1-amine
CID 22735038
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
3-ethoxy-3-ethyl-2,2-dimethylpentane
CID 174477708
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2,2,5,5-tetraethoxyhexane
CID 42611383
1-amino-2-ethoxypropan-2-ol
CID 174792064

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-2,2-dimethylpropan-1-amine?
The IUPAC name of 1,1-diethoxy-2,2-dimethylpropan-1-amine (CID 174896219) is 1,1-diethoxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1,1-diethoxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1,1-diethoxy-2,2-dimethylpropan-1-amine is CCOC(N)(OCC)C(C)(C)C.
What is the InChIKey of 1,1-diethoxy-2,2-dimethylpropan-1-amine?
The InChIKey is DSEGFNFBAAGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-6-11-9(10,12-7-2)8(3,4)5/h6-7,10H2,1-5H3.
What are the key properties of 1,1-diethoxy-2,2-dimethylpropan-1-amine?
1,1-diethoxy-2,2-dimethylpropan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 174896219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).