2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone

C15H26N2O2 — CID 55213150

IUPAC2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C15H26N2O2/c18-12-11-16-7-4-8-17(10-9-16)15(19)13-14-5-2-1-3-6-14/h5,18H,1-4,6-13H2
InChIKeyUYXCGPUCYIIRBU-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 55213150) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID55213150
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C15H26N2O2/c18-12-11-16-7-4-8-17(10-9-16)15(19)13-14-5-2-1-3-6-14/h5,18H,1-4,6-13H2
InChIKeyUYXCGPUCYIIRBU-UHFFFAOYSA-N
XLogP1.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone (CID 55213150) is 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCCN(CCO)CC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is UYXCGPUCYIIRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-12-11-16-7-4-8-17(10-9-16)15(19)13-14-5-2-1-3-6-14/h5,18H,1-4,6-13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 266.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 55213150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).