5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane

C14H28N2O — CID 114115320

IUPAC5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
SMILESCCC1CCN(C(C)C2CCOCC2)CCN1
InChIInChI=1S/C14H28N2O/c1-3-14-4-8-16(9-7-15-14)12(2)13-5-10-17-11-6-13/h12-15H,3-11H2,1-2H3
InChIKeyUDIDPNBHYZQYAG-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds3

About 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane

5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane (PubChem CID 114115320) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
PubChem CID114115320
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane
SMILESCCC1CCN(C(C)C2CCOCC2)CCN1
InChIInChI=1S/C14H28N2O/c1-3-14-4-8-16(9-7-15-14)12(2)13-5-10-17-11-6-13/h12-15H,3-11H2,1-2H3
InChIKeyUDIDPNBHYZQYAG-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[1-(oxolan-2-yl)ethyl]piperazine
CID 64924459
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine
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5-ethyl-1-(1-pyridin-4-ylethyl)-1,4-diazepane
CID 54972784
[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 105400777
1-(1-cyclopentylethyl)-3-(2-methylpropyl)piperazine
CID 64953833
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
6-ethyl-3-methyl-1-[1-(oxolan-2-yl)ethyl]-1,5-diazocane
CID 54973353
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
1-[1-(oxan-4-yl)ethyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114115331
1-ethyl-4-[1-(1-ethylpiperidin-4-yl)ethyl]piperazine
CID 167088968
3-ethyl-1-(2-methylpentan-3-yl)piperazine
CID 64925321
4-ethyl-1-(1-methylsulfonylpropan-2-yl)-1,5-diazocane
CID 64641535

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane?
The IUPAC name of 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane (CID 114115320) is 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane is CCC1CCN(C(C)C2CCOCC2)CCN1.
What is the InChIKey of 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane?
The InChIKey is UDIDPNBHYZQYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14-4-8-16(9-7-15-14)12(2)13-5-10-17-11-6-13/h12-15H,3-11H2,1-2H3.
What are the key properties of 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane?
5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane has a molecular weight of 240.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[1-(oxan-4-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 114115320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).