ethane;2-ethoxy-N,2-dimethylpropan-1-amine

C13H35NO — CID 166550190

IUPACethane;2-ethoxy-N,2-dimethylpropan-1-amine
SMILESCC.CC.CC.CCOC(C)(C)CNC
InChIInChI=1S/C7H17NO.3C2H6/c1-5-9-7(2,3)6-8-4;3*1-2/h8H,5-6H2,1-4H3;3*1-2H3
InChIKeyMCHTWJYKCHQUEP-UHFFFAOYSA-N
MW221.43 g/mol
LogP4.10
Rot. Bonds4

About ethane;2-ethoxy-N,2-dimethylpropan-1-amine

ethane;2-ethoxy-N,2-dimethylpropan-1-amine (PubChem CID 166550190) has the molecular formula C13H35NO and a molecular weight of 221.43 g/mol. Its IUPAC name is ethane;2-ethoxy-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Nameethane;2-ethoxy-N,2-dimethylpropan-1-amine
PubChem CID166550190
Molecular FormulaC13H35NO
Molecular Weight221.43 g/mol
Exact Mass221.27
IUPAC Nameethane;2-ethoxy-N,2-dimethylpropan-1-amine
SMILESCC.CC.CC.CCOC(C)(C)CNC
InChIInChI=1S/C7H17NO.3C2H6/c1-5-9-7(2,3)6-8-4;3*1-2/h8H,5-6H2,1-4H3;3*1-2H3
InChIKeyMCHTWJYKCHQUEP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-N,2-dimethylpropan-1-amine?
The IUPAC name of ethane;2-ethoxy-N,2-dimethylpropan-1-amine (CID 166550190) is ethane;2-ethoxy-N,2-dimethylpropan-1-amine.
What is the SMILES notation for ethane;2-ethoxy-N,2-dimethylpropan-1-amine?
The canonical SMILES for ethane;2-ethoxy-N,2-dimethylpropan-1-amine is CC.CC.CC.CCOC(C)(C)CNC.
What is the InChIKey of ethane;2-ethoxy-N,2-dimethylpropan-1-amine?
The InChIKey is MCHTWJYKCHQUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO.3C2H6/c1-5-9-7(2,3)6-8-4;3*1-2/h8H,5-6H2,1-4H3;3*1-2H3.
What are the key properties of ethane;2-ethoxy-N,2-dimethylpropan-1-amine?
ethane;2-ethoxy-N,2-dimethylpropan-1-amine has a molecular weight of 221.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 166550190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).