N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine

C20H45N3O6 — CID 134252027

IUPACN,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
SMILESCCCCN(CCOCCOCCOCCN)CCOCCOCCOCCN
InChIInChI=1S/C20H45N3O6/c1-2-3-6-23(7-11-26-15-19-28-17-13-24-9-4-21)8-12-27-16-20-29-18-14-25-10-5-22/h2-22H2,1H3
InChIKeyPVDURQZVFQZBHP-UHFFFAOYSA-N
MW423.60 g/mol
LogP0.11
Rot. Bonds25

About N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine

N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine (PubChem CID 134252027) has the molecular formula C20H45N3O6 and a molecular weight of 423.60 g/mol. Its IUPAC name is N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine.

Molecular Properties

Compound NameN,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
PubChem CID134252027
Molecular FormulaC20H45N3O6
Molecular Weight423.60 g/mol
Exact Mass423.33
IUPAC NameN,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
SMILESCCCCN(CCOCCOCCOCCN)CCOCCOCCOCCN
InChIInChI=1S/C20H45N3O6/c1-2-3-6-23(7-11-26-15-19-28-17-13-24-9-4-21)8-12-27-16-20-29-18-14-25-10-5-22/h2-22H2,1H3
InChIKeyPVDURQZVFQZBHP-UHFFFAOYSA-N
XLogP0.11
TPSA110.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-[2-(diethylamino)ethoxy]ethyl]butan-1-amine
CID 19822695
N'-(5-aminopentyl)-N'-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentane-1,5-diamine
CID 88853551
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023
N,N-bis(2-ethoxyethyl)butan-1-amine
CID 91213413
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-(2-hexyldecoxy)-N-[6-(2-hexyldecoxy)hexyl]hexan-1-amine
CID 171607256
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
N-(3-butoxypropyl)-N-butylbutan-1-amine
CID 152720768
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
2-[bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]amino]ethanol
CID 59518679
N-dodecyl-N-[2-(2-fluoroethoxy)ethyl]dodecan-1-amine
CID 91475328
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
N'-(2-butoxyethyl)-N'-ethylethane-1,2-diamine
CID 61483279

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
The IUPAC name of N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine (CID 134252027) is N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine.
What is the SMILES notation for N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
The canonical SMILES for N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine is CCCCN(CCOCCOCCOCCN)CCOCCOCCOCCN.
What is the InChIKey of N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
The InChIKey is PVDURQZVFQZBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H45N3O6/c1-2-3-6-23(7-11-26-15-19-28-17-13-24-9-4-21)8-12-27-16-20-29-18-14-25-10-5-22/h2-22H2,1H3.
What are the key properties of N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine?
N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine has a molecular weight of 423.60 g/mol, XLogP of 0.11, 25 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]butan-1-amine is sourced from PubChem (CID 134252027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).