2-(oxazepan-2-yl)ethanamine

C7H16N2O — CID 130118341

IUPAC2-(oxazepan-2-yl)ethanamine
SMILESNCCN1CCCCCO1
InChIInChI=1S/C7H16N2O/c8-4-6-9-5-2-1-3-7-10-9/h1-8H2
InChIKeyGBKCASQQJAJTKK-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.36
Rot. Bonds2

About 2-(oxazepan-2-yl)ethanamine

2-(oxazepan-2-yl)ethanamine (PubChem CID 130118341) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(oxazepan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(oxazepan-2-yl)ethanamine
PubChem CID130118341
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-(oxazepan-2-yl)ethanamine
SMILESNCCN1CCCCCO1
InChIInChI=1S/C7H16N2O/c8-4-6-9-5-2-1-3-7-10-9/h1-8H2
InChIKeyGBKCASQQJAJTKK-UHFFFAOYSA-N
XLogP0.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxazepan-2-yl)ethanamine?
The IUPAC name of 2-(oxazepan-2-yl)ethanamine (CID 130118341) is 2-(oxazepan-2-yl)ethanamine.
What is the SMILES notation for 2-(oxazepan-2-yl)ethanamine?
The canonical SMILES for 2-(oxazepan-2-yl)ethanamine is NCCN1CCCCCO1.
What is the InChIKey of 2-(oxazepan-2-yl)ethanamine?
The InChIKey is GBKCASQQJAJTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-4-6-9-5-2-1-3-7-10-9/h1-8H2.
What are the key properties of 2-(oxazepan-2-yl)ethanamine?
2-(oxazepan-2-yl)ethanamine has a molecular weight of 144.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxazepan-2-yl)ethanamine is sourced from PubChem (CID 130118341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).