1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane

C15H32N2O3 — CID 104560345

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
SMILESCCCCOCCOCCOCCN1CCCNCC1
InChIInChI=1S/C15H32N2O3/c1-2-3-10-18-12-14-20-15-13-19-11-9-17-7-4-5-16-6-8-17/h16H,2-15H2,1H3
InChIKeyYQVYEWXKJHYIED-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.13
Rot. Bonds12

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane (PubChem CID 104560345) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
PubChem CID104560345
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
SMILESCCCCOCCOCCOCCN1CCCNCC1
InChIInChI=1S/C15H32N2O3/c1-2-3-10-18-12-14-20-15-13-19-11-9-17-7-4-5-16-6-8-17/h16H,2-15H2,1H3
InChIKeyYQVYEWXKJHYIED-UHFFFAOYSA-N
XLogP1.13
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.13
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-propoxypropyl)-1,5-diazocane
CID 82947499
1-butyl-1,4-diazepane;ethane
CID 168976024
1-heptyl-1,4,8,11-tetrazacyclotetradecane
CID 101356970
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 170584628
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
1-(2-butoxyethyl)-3,3-dimethyl-1,4-diazepane
CID 64870671
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
1-(2-butoxyethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64870534
1-tricosylpiperazine
CID 130183651
4-[4-(2-butoxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 61483102
1-pentylpiperidine;pyrrolidine
CID 69027489

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane (CID 104560345) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane is CCCCOCCOCCOCCN1CCCNCC1.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane?
The InChIKey is YQVYEWXKJHYIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-2-3-10-18-12-14-20-15-13-19-11-9-17-7-4-5-16-6-8-17/h16H,2-15H2,1H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane has a molecular weight of 288.43 g/mol, XLogP of 1.13, 12 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]-1,4-diazepane is sourced from PubChem (CID 104560345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).