2-(1,4-diazepan-1-yl)ethanol

C7H16N2O — CID 2736550

IUPAC2-(1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCNCC1
InChIInChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2
InChIKeyIXKNVDAHLCFGCV-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.73
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)ethanol

2-(1,4-diazepan-1-yl)ethanol (PubChem CID 2736550) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)ethanol
PubChem CID2736550
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-(1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCNCC1
InChIInChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2
InChIKeyIXKNVDAHLCFGCV-UHFFFAOYSA-N
XLogP-0.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)ethanol?
The IUPAC name of 2-(1,4-diazepan-1-yl)ethanol (CID 2736550) is 2-(1,4-diazepan-1-yl)ethanol.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)ethanol?
The canonical SMILES for 2-(1,4-diazepan-1-yl)ethanol is OCCN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)ethanol?
The InChIKey is IXKNVDAHLCFGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2.
What are the key properties of 2-(1,4-diazepan-1-yl)ethanol?
2-(1,4-diazepan-1-yl)ethanol has a molecular weight of 144.22 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)ethanol is sourced from PubChem (CID 2736550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).