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

C10H23NO — CID 22975503

IUPAC4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine
SMILESCCOCCC(C)N(C)C(C)C
InChIInChI=1S/C10H23NO/c1-6-12-8-7-10(4)11(5)9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyDNQIMQDAXJEMTB-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.14
Rot. Bonds6

About 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine

4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 22975503) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine
PubChem CID22975503
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine
SMILESCCOCCC(C)N(C)C(C)C
InChIInChI=1S/C10H23NO/c1-6-12-8-7-10(4)11(5)9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyDNQIMQDAXJEMTB-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine (CID 22975503) is 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine is CCOCCC(C)N(C)C(C)C.
What is the InChIKey of 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is DNQIMQDAXJEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-12-8-7-10(4)11(5)9(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine?
4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 22975503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).