N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine

C10H23NO — CID 174368808

IUPACN-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCCON(C(C)C)C(C)C(C)C
InChIInChI=1S/C10H23NO/c1-7-12-11(9(4)5)10(6)8(2)3/h8-10H,7H2,1-6H3
InChIKeyMJYSJEAQWOYENL-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.69
Rot. Bonds5

About N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine

N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 174368808) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
PubChem CID174368808
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCCON(C(C)C)C(C)C(C)C
InChIInChI=1S/C10H23NO/c1-7-12-11(9(4)5)10(6)8(2)3/h8-10H,7H2,1-6H3
InChIKeyMJYSJEAQWOYENL-UHFFFAOYSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
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-3-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine (CID 174368808) is N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine is CCON(C(C)C)C(C)C(C)C.
What is the InChIKey of N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is MJYSJEAQWOYENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-7-12-11(9(4)5)10(6)8(2)3/h8-10H,7H2,1-6H3.
What are the key properties of N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine?
N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 174368808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).