2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol

C22H45NO4 — CID 118173215

IUPAC2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol
SMILESCCCCCCCCCCCCOC[C@@H]1CC[C@@H](CNCCOCCO)O1
InChIInChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-16-26-20-22-13-12-21(27-22)19-23-14-17-25-18-15-24/h21-24H,2-20H2,1H3/t21-,22-/m0/s1
InChIKeyCDJGKSIVJSGTON-VXKWHMMOSA-N
MW387.61 g/mol
LogP4.07
Rot. Bonds20

About 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol

2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol (PubChem CID 118173215) has the molecular formula C22H45NO4 and a molecular weight of 387.61 g/mol. Its IUPAC name is 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol
PubChem CID118173215
Molecular FormulaC22H45NO4
Molecular Weight387.61 g/mol
Exact Mass387.33
IUPAC Name2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol
SMILESCCCCCCCCCCCCOC[C@@H]1CC[C@@H](CNCCOCCO)O1
InChIInChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-16-26-20-22-13-12-21(27-22)19-23-14-17-25-18-15-24/h21-24H,2-20H2,1H3/t21-,22-/m0/s1
InChIKeyCDJGKSIVJSGTON-VXKWHMMOSA-N
XLogP4.07
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.61
LogP ≤ 54.07
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

N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-(iodomethyl)-1-[(2S,5R)-5-(octadecoxymethyl)oxolan-2-yl]methanamine
CID 144869857
N-[[5-(2-butoxyethoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62457736
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
CID 62450434
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-[[5-(heptoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62457537
[(2S,5S)-5-(octadecoxymethyl)oxolan-2-yl]methylazanium
CID 140746023
N-[[5-(2-propoxyethoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55232861
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol (CID 118173215) is 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol is CCCCCCCCCCCCOC[C@@H]1CC[C@@H](CNCCOCCO)O1.
What is the InChIKey of 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol?
The InChIKey is CDJGKSIVJSGTON-VXKWHMMOSA-N. The full InChI is InChI=1S/C22H45NO4/c1-2-3-4-5-6-7-8-9-10-11-16-26-20-22-13-12-21(27-22)19-23-14-17-25-18-15-24/h21-24H,2-20H2,1H3/t21-,22-/m0/s1.
What are the key properties of 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol?
2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol has a molecular weight of 387.61 g/mol, XLogP of 4.07, 20 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S,5S)-5-(dodecoxymethyl)oxolan-2-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 118173215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).