3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine

C24H51N3O3 — CID 15664447

IUPAC3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine
SMILESNCCCOCCN(CCOCCCN)CCOC1CCCCCCCCCCC1
InChIInChI=1S/C24H51N3O3/c25-14-10-19-28-21-16-27(17-22-29-20-11-15-26)18-23-30-24-12-8-6-4-2-1-3-5-7-9-13-24/h24H,1-23,25-26H2
InChIKeyNEXYOPWLZOGBNZ-UHFFFAOYSA-N
MW429.69 g/mol
LogP3.71
Rot. Bonds16

About 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine

3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine (PubChem CID 15664447) has the molecular formula C24H51N3O3 and a molecular weight of 429.69 g/mol. Its IUPAC name is 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine
PubChem CID15664447
Molecular FormulaC24H51N3O3
Molecular Weight429.69 g/mol
Exact Mass429.39
IUPAC Name3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine
SMILESNCCCOCCN(CCOCCCN)CCOC1CCCCCCCCCCC1
InChIInChI=1S/C24H51N3O3/c25-14-10-19-28-21-16-27(17-22-29-20-11-15-26)18-23-30-24-12-8-6-4-2-1-3-5-7-9-13-24/h24H,1-23,25-26H2
InChIKeyNEXYOPWLZOGBNZ-UHFFFAOYSA-N
XLogP3.71
TPSA82.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.69
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Bis-(2-decyloxy-ethyl)-amine
CID 6421831
Bis(2-octyloxyethyl)amine
CID 14205548
2-nonoxy-N-(2-nonoxyethyl)ethanamine
CID 14205552
N-(3-aminopropyl)-N,N-dimethyl-2,3-bis(dodecyloxy)-1-propylammonium bromide
CID 21958096
3-Aminopropyl-(2,3-didodecoxypropyl)-dimethylazanium
CID 21958097
2-Aminoethyl-[2,3-di(tetradecoxy)propyl]-dimethylazanium
CID 53712582
Bis-(2-lauroxyethyl)amine
CID 54064228
n-Decylcryptand
CID 85587026
3-Aminopropyl-(2,3-didecoxypropyl)-dimethylazanium bromide
CID 11599101
3-Aminopropyl-(2,3-didecoxypropyl)-dimethylazanium
CID 11599102
2-Tetradecyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12290783
3-Aminopropyl-methyl-bis(2-tetradecoxyethyl)azanium
CID 15521500

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine?
The IUPAC name of 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine (CID 15664447) is 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine.
What is the SMILES notation for 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine?
The canonical SMILES for 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine is NCCCOCCN(CCOCCCN)CCOC1CCCCCCCCCCC1.
What is the InChIKey of 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine?
The InChIKey is NEXYOPWLZOGBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3O3/c25-14-10-19-28-21-16-27(17-22-29-20-11-15-26)18-23-30-24-12-8-6-4-2-1-3-5-7-9-13-24/h24H,1-23,25-26H2.
What are the key properties of 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine?
3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine has a molecular weight of 429.69 g/mol, XLogP of 3.71, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-aminopropoxy)ethyl-(2-cyclododecyloxyethyl)amino]ethoxy]propan-1-amine is sourced from PubChem (CID 15664447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).