N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine

C16H36N2O — CID 19822695

IUPACN-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOCCN(CC)CC
InChIInChI=1S/C16H36N2O/c1-5-9-11-18(12-10-6-2)14-16-19-15-13-17(7-3)8-4/h5-16H2,1-4H3
InChIKeyYZNLEFFVTWCLNG-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.25
Rot. Bonds14

About N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine

N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine (PubChem CID 19822695) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
PubChem CID19822695
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC NameN-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCOCCN(CC)CC
InChIInChI=1S/C16H36N2O/c1-5-9-11-18(12-10-6-2)14-16-19-15-13-17(7-3)8-4/h5-16H2,1-4H3
InChIKeyYZNLEFFVTWCLNG-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N-[2-(2-chloroethoxy)ethyl]-N-ethylbutan-1-amine
CID 63666275
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 134252027
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
3-bromo-N-ethyl-N-(2-propoxyethyl)propan-1-amine
CID 106457825
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
20-[20-(diethylamino)icosoxy]-N,N-diethylicosan-1-amine
CID 87698049

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine (CID 19822695) is N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine is CCCCN(CCCC)CCOCCN(CC)CC.
What is the InChIKey of N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine?
The InChIKey is YZNLEFFVTWCLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-5-9-11-18(12-10-6-2)14-16-19-15-13-17(7-3)8-4/h5-16H2,1-4H3.
What are the key properties of N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine?
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.25, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 19822695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).