1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone

C13H24N2O2 — CID 63298634

IUPAC1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone
SMILESO=C(CNCC(O)C1CC1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12(11-5-6-11)9-14-10-13(17)15-7-3-1-2-4-8-15/h11-12,14,16H,1-10H2
InChIKeyORHSVTUICWBGAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds5

About 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone

1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone (PubChem CID 63298634) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone
PubChem CID63298634
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone
SMILESO=C(CNCC(O)C1CC1)N1CCCCCC1
InChIInChI=1S/C13H24N2O2/c16-12(11-5-6-11)9-14-10-13(17)15-7-3-1-2-4-8-15/h11-12,14,16H,1-10H2
InChIKeyORHSVTUICWBGAX-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone (CID 63298634) is 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone is O=C(CNCC(O)C1CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone?
The InChIKey is ORHSVTUICWBGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-12(11-5-6-11)9-14-10-13(17)15-7-3-1-2-4-8-15/h11-12,14,16H,1-10H2.
What are the key properties of 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone?
1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(2-cyclopropyl-2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 63298634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).