N-(2,2-diethoxyethyl)-3-methylbutan-1-amine

C11H25NO2 — CID 78912157

IUPACN-(2,2-diethoxyethyl)-3-methylbutan-1-amine
SMILESCCOC(CNCCC(C)C)OCC
InChIInChI=1S/C11H25NO2/c1-5-13-11(14-6-2)9-12-8-7-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeySWNUBHLHIHJFEW-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.02
Rot. Bonds9

About N-(2,2-diethoxyethyl)-3-methylbutan-1-amine

N-(2,2-diethoxyethyl)-3-methylbutan-1-amine (PubChem CID 78912157) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-methylbutan-1-amine
PubChem CID78912157
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC NameN-(2,2-diethoxyethyl)-3-methylbutan-1-amine
SMILESCCOC(CNCCC(C)C)OCC
InChIInChI=1S/C11H25NO2/c1-5-13-11(14-6-2)9-12-8-7-10(3)4/h10-12H,5-9H2,1-4H3
InChIKeySWNUBHLHIHJFEW-UHFFFAOYSA-N
XLogP2.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-3-methylbutan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-3-methylbutan-1-amine (CID 78912157) is N-(2,2-diethoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-methylbutan-1-amine is CCOC(CNCCC(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-methylbutan-1-amine?
The InChIKey is SWNUBHLHIHJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-13-11(14-6-2)9-12-8-7-10(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2,2-diethoxyethyl)-3-methylbutan-1-amine?
N-(2,2-diethoxyethyl)-3-methylbutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 78912157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).