2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone

C15H28N2O2 — CID 65051205

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
SMILESNCC1(OCC(=O)N2CCCCCC2)CCCCC1
InChIInChI=1S/C15H28N2O2/c16-13-15(8-4-3-5-9-15)19-12-14(18)17-10-6-1-2-7-11-17/h1-13,16H2
InChIKeyWKTMQQOEUKRQFE-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone (PubChem CID 65051205) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
PubChem CID65051205
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
SMILESNCC1(OCC(=O)N2CCCCCC2)CCCCC1
InChIInChI=1S/C15H28N2O2/c16-13-15(8-4-3-5-9-15)19-12-14(18)17-10-6-1-2-7-11-17/h1-13,16H2
InChIKeyWKTMQQOEUKRQFE-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone (CID 65051205) is 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone is NCC1(OCC(=O)N2CCCCCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone?
The InChIKey is WKTMQQOEUKRQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-13-15(8-4-3-5-9-15)19-12-14(18)17-10-6-1-2-7-11-17/h1-13,16H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 65051205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).