N-ethoxy-2-methylbutan-2-amine

C7H17NO — CID 87795626

IUPACN-ethoxy-2-methylbutan-2-amine
SMILESCCONC(C)(C)CC
InChIInChI=1S/C7H17NO/c1-5-7(3,4)8-9-6-2/h8H,5-6H2,1-4H3
InChIKeyPFZIKDRMLFAXNU-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.72
Rot. Bonds4

About N-ethoxy-2-methylbutan-2-amine

N-ethoxy-2-methylbutan-2-amine (PubChem CID 87795626) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is N-ethoxy-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethoxy-2-methylbutan-2-amine
PubChem CID87795626
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameN-ethoxy-2-methylbutan-2-amine
SMILESCCONC(C)(C)CC
InChIInChI=1S/C7H17NO/c1-5-7(3,4)8-9-6-2/h8H,5-6H2,1-4H3
InChIKeyPFZIKDRMLFAXNU-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-methylbutan-2-amine?
The IUPAC name of N-ethoxy-2-methylbutan-2-amine (CID 87795626) is N-ethoxy-2-methylbutan-2-amine.
What is the SMILES notation for N-ethoxy-2-methylbutan-2-amine?
The canonical SMILES for N-ethoxy-2-methylbutan-2-amine is CCONC(C)(C)CC.
What is the InChIKey of N-ethoxy-2-methylbutan-2-amine?
The InChIKey is PFZIKDRMLFAXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-7(3,4)8-9-6-2/h8H,5-6H2,1-4H3.
What are the key properties of N-ethoxy-2-methylbutan-2-amine?
N-ethoxy-2-methylbutan-2-amine has a molecular weight of 131.22 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-methylbutan-2-amine is sourced from PubChem (CID 87795626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).