N-butyl-N-ethoxybutan-1-amine

C10H23NO — CID 19988563

IUPACN-butyl-N-ethoxybutan-1-amine
SMILESCCCCN(CCCC)OCC
InChIInChI=1S/C10H23NO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3
InChIKeyUAFHNEMRCJTVGU-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.84
Rot. Bonds8

About N-butyl-N-ethoxybutan-1-amine

N-butyl-N-ethoxybutan-1-amine (PubChem CID 19988563) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-butyl-N-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethoxybutan-1-amine
PubChem CID19988563
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-butyl-N-ethoxybutan-1-amine
SMILESCCCCN(CCCC)OCC
InChIInChI=1S/C10H23NO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3
InChIKeyUAFHNEMRCJTVGU-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.84
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-butyl-N-ethoxybutan-1-amine?
The IUPAC name of N-butyl-N-ethoxybutan-1-amine (CID 19988563) is N-butyl-N-ethoxybutan-1-amine.
What is the SMILES notation for N-butyl-N-ethoxybutan-1-amine?
The canonical SMILES for N-butyl-N-ethoxybutan-1-amine is CCCCN(CCCC)OCC.
What is the InChIKey of N-butyl-N-ethoxybutan-1-amine?
The InChIKey is UAFHNEMRCJTVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3.
What are the key properties of N-butyl-N-ethoxybutan-1-amine?
N-butyl-N-ethoxybutan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethoxybutan-1-amine is sourced from PubChem (CID 19988563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).