1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine

C22H48N2O3 — CID 141280671

IUPAC1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine
SMILESCCCCCCCCCCCCCCOCC(N)COCCCOCCN
InChIInChI=1S/C22H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26-20-22(24)21-27-18-14-17-25-19-15-23/h22H,2-21,23-24H2,1H3
InChIKeyUCXREIGVFZEILH-UHFFFAOYSA-N
MW388.64 g/mol
LogP4.41
Rot. Bonds23

About 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine

1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine (PubChem CID 141280671) has the molecular formula C22H48N2O3 and a molecular weight of 388.64 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine
PubChem CID141280671
Molecular FormulaC22H48N2O3
Molecular Weight388.64 g/mol
Exact Mass388.37
IUPAC Name1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine
SMILESCCCCCCCCCCCCCCOCC(N)COCCCOCCN
InChIInChI=1S/C22H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26-20-22(24)21-27-18-14-17-25-19-15-23/h22H,2-21,23-24H2,1H3
InChIKeyUCXREIGVFZEILH-UHFFFAOYSA-N
XLogP4.41
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.64
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 86291503
2-[2-(2-octadecoxyethoxy)ethoxy]ethanamine
CID 139597829
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 139598207
1-methoxy-3-pentoxypropan-2-amine
CID 107506771
1-heptoxypentan-2-amine
CID 62044754
1-[(Z)-octadec-9-enoxy]-3-octoxypropan-2-amine
CID 154403709
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
4-nonoxybutan-1-amine
CID 139664551
1-(2-butoxyethoxy)-3-methoxypropan-2-amine
CID 107506709
5-octoxypentane-1,2-diamine
CID 20527044
1-(3-octoxypropoxy)nonane
CID 123372111
2-(2-octadecoxyethylperoxy)ethanamine
CID 161248525

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine?
The IUPAC name of 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine (CID 141280671) is 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine.
What is the SMILES notation for 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine?
The canonical SMILES for 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine is CCCCCCCCCCCCCCOCC(N)COCCCOCCN.
What is the InChIKey of 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine?
The InChIKey is UCXREIGVFZEILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-26-20-22(24)21-27-18-14-17-25-19-15-23/h22H,2-21,23-24H2,1H3.
What are the key properties of 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine?
1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine has a molecular weight of 388.64 g/mol, XLogP of 4.41, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)propoxy]-3-tetradecoxypropan-2-amine is sourced from PubChem (CID 141280671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).