N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine

C11H25NO2 — CID 59290437

IUPACN-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine
SMILESCCOC(CNCC(C)(C)C)OCC
InChIInChI=1S/C11H25NO2/c1-6-13-10(14-7-2)8-12-9-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyCZKKYNNMQNSPRW-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.02
Rot. Bonds7

About N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine

N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine (PubChem CID 59290437) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine
PubChem CID59290437
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine
SMILESCCOC(CNCC(C)(C)C)OCC
InChIInChI=1S/C11H25NO2/c1-6-13-10(14-7-2)8-12-9-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyCZKKYNNMQNSPRW-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine (CID 59290437) is N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine is CCOC(CNCC(C)(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine?
The InChIKey is CZKKYNNMQNSPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-6-13-10(14-7-2)8-12-9-11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine?
N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 59290437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).