1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol

C16H33NO4 — CID 104566099

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol
SMILESCCCCOCCOCCOCCN1CC(O)(C(C)C)C1
InChIInChI=1S/C16H33NO4/c1-4-5-7-19-9-11-21-12-10-20-8-6-17-13-16(18,14-17)15(2)3/h15,18H,4-14H2,1-3H3
InChIKeyWEJCGLZMEQVQOD-UHFFFAOYSA-N
MW303.44 g/mol
LogP1.54
Rot. Bonds13

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol (PubChem CID 104566099) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol
PubChem CID104566099
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol
SMILESCCCCOCCOCCOCCN1CC(O)(C(C)C)C1
InChIInChI=1S/C16H33NO4/c1-4-5-7-19-9-11-21-12-10-20-8-6-17-13-16(18,14-17)15(2)3/h15,18H,4-14H2,1-3H3
InChIKeyWEJCGLZMEQVQOD-UHFFFAOYSA-N
XLogP1.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
1-(2-butoxyethyl)-3,3-difluoropiperidine
CID 154627823
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-(2-butoxyethyl)-3,3-dimethyl-1,4-diazepane
CID 64870671
2-[4-(2-butoxyethyl)piperazin-1-yl]propanoic acid
CID 62311492
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-butoxybutane;propane-1,1-diol
CID 87222669
butane-2,3-diol;1-butoxybutane
CID 87169993
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104560353

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol (CID 104566099) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol is CCCCOCCOCCOCCN1CC(O)(C(C)C)C1.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol?
The InChIKey is WEJCGLZMEQVQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-4-5-7-19-9-11-21-12-10-20-8-6-17-13-16(18,14-17)15(2)3/h15,18H,4-14H2,1-3H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol has a molecular weight of 303.44 g/mol, XLogP of 1.54, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 104566099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).