4-[2-(diethylamino)ethoxy]butan-1-amine

C10H24N2O — CID 62459330

IUPAC4-[2-(diethylamino)ethoxy]butan-1-amine
SMILESCCN(CC)CCOCCCCN
InChIInChI=1S/C10H24N2O/c1-3-12(4-2)8-10-13-9-6-5-7-11/h3-11H2,1-2H3
InChIKeyNAYCDJVVQOYBCR-UHFFFAOYSA-N
MW188.31 g/mol
LogP1.08
Rot. Bonds9

About 4-[2-(diethylamino)ethoxy]butan-1-amine

4-[2-(diethylamino)ethoxy]butan-1-amine (PubChem CID 62459330) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethoxy]butan-1-amine.

Molecular Properties

Compound Name4-[2-(diethylamino)ethoxy]butan-1-amine
PubChem CID62459330
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name4-[2-(diethylamino)ethoxy]butan-1-amine
SMILESCCN(CC)CCOCCCCN
InChIInChI=1S/C10H24N2O/c1-3-12(4-2)8-10-13-9-6-5-7-11/h3-11H2,1-2H3
InChIKeyNAYCDJVVQOYBCR-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-(diethylamino)ethoxy]butan-1-amine?
The IUPAC name of 4-[2-(diethylamino)ethoxy]butan-1-amine (CID 62459330) is 4-[2-(diethylamino)ethoxy]butan-1-amine.
What is the SMILES notation for 4-[2-(diethylamino)ethoxy]butan-1-amine?
The canonical SMILES for 4-[2-(diethylamino)ethoxy]butan-1-amine is CCN(CC)CCOCCCCN.
What is the InChIKey of 4-[2-(diethylamino)ethoxy]butan-1-amine?
The InChIKey is NAYCDJVVQOYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-3-12(4-2)8-10-13-9-6-5-7-11/h3-11H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethoxy]butan-1-amine?
4-[2-(diethylamino)ethoxy]butan-1-amine has a molecular weight of 188.31 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethoxy]butan-1-amine is sourced from PubChem (CID 62459330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).