N-(2,2-diethoxyethyl)butan-1-amine

C10H23NO2 — CID 12502860

IUPACN-(2,2-diethoxyethyl)butan-1-amine
SMILESCCCCNCC(OCC)OCC
InChIInChI=1S/C10H23NO2/c1-4-7-8-11-9-10(12-5-2)13-6-3/h10-11H,4-9H2,1-3H3
InChIKeyJRMCKMADOBGTEV-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.78
Rot. Bonds9

About N-(2,2-diethoxyethyl)butan-1-amine

N-(2,2-diethoxyethyl)butan-1-amine (PubChem CID 12502860) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)butan-1-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)butan-1-amine
PubChem CID12502860
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC NameN-(2,2-diethoxyethyl)butan-1-amine
SMILESCCCCNCC(OCC)OCC
InChIInChI=1S/C10H23NO2/c1-4-7-8-11-9-10(12-5-2)13-6-3/h10-11H,4-9H2,1-3H3
InChIKeyJRMCKMADOBGTEV-UHFFFAOYSA-N
XLogP1.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)butan-1-amine?
The IUPAC name of N-(2,2-diethoxyethyl)butan-1-amine (CID 12502860) is N-(2,2-diethoxyethyl)butan-1-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)butan-1-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)butan-1-amine is CCCCNCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)butan-1-amine?
The InChIKey is JRMCKMADOBGTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-7-8-11-9-10(12-5-2)13-6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2,2-diethoxyethyl)butan-1-amine?
N-(2,2-diethoxyethyl)butan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)butan-1-amine is sourced from PubChem (CID 12502860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).