1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine

C24H54N4O — CID 139919620

IUPAC1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine
SMILESCCC(CN(CC)CCOCCN(CC)CC(CC)N(CC)CC)N(CC)CC
InChIInChI=1S/C24H54N4O/c1-9-23(27(13-5)14-6)21-25(11-3)17-19-29-20-18-26(12-4)22-24(10-2)28(15-7)16-8/h23-24H,9-22H2,1-8H3
InChIKeyIPKWHKPFYJGYHL-UHFFFAOYSA-N
MW414.72 g/mol
LogP3.89
Rot. Bonds20

About 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine

1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine (PubChem CID 139919620) has the molecular formula C24H54N4O and a molecular weight of 414.72 g/mol. Its IUPAC name is 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine
PubChem CID139919620
Molecular FormulaC24H54N4O
Molecular Weight414.72 g/mol
Exact Mass414.43
IUPAC Name1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine
SMILESCCC(CN(CC)CCOCCN(CC)CC(CC)N(CC)CC)N(CC)CC
InChIInChI=1S/C24H54N4O/c1-9-23(27(13-5)14-6)21-25(11-3)17-19-29-20-18-26(12-4)22-24(10-2)28(15-7)16-8/h23-24H,9-22H2,1-8H3
InChIKeyIPKWHKPFYJGYHL-UHFFFAOYSA-N
XLogP3.89
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.72
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylpentan-3-amine;hydrobromide
CID 175223065
N-(2-bromoethyl)-N-(2-propoxyethyl)pentan-3-amine
CID 106457771
2-[2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
CID 54156133
ethane;2-N-ethyl-1-N,1-N-dimethyl-2-N-propylbutane-1,2-diamine
CID 142596203
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
3-[ethyl(2-propoxyethyl)amino]-2-methylpropanethioamide
CID 106452806
1-N-(2-ethoxyethyl)-1-N-ethyl-2-N-propylbutane-1,2-diamine
CID 63696660
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569
N'-[2-(3-methylbutoxy)ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 63759731
2-ethyl-N-[2-[2-[ethyl(propyl)amino]ethoxy]ethyl]-N-tetradecan-2-yltetradecan-1-amine
CID 175633647
4-[2-(diethylamino)ethoxy]butan-1-amine
CID 62459330

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine?
The IUPAC name of 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine (CID 139919620) is 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine is CCC(CN(CC)CCOCCN(CC)CC(CC)N(CC)CC)N(CC)CC.
What is the InChIKey of 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine?
The InChIKey is IPKWHKPFYJGYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54N4O/c1-9-23(27(13-5)14-6)21-25(11-3)17-19-29-20-18-26(12-4)22-24(10-2)28(15-7)16-8/h23-24H,9-22H2,1-8H3.
What are the key properties of 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine?
1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine has a molecular weight of 414.72 g/mol, XLogP of 3.89, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-[2-[2-(diethylamino)butyl-ethylamino]ethoxy]ethyl]-1-N,2-N,2-N-triethylbutane-1,2-diamine is sourced from PubChem (CID 139919620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).