[1-(aminomethyl)cyclohexyl] acetate;hydrochloride

C9H18ClNO2 — CID 68801396

IUPAC[1-(aminomethyl)cyclohexyl] acetate;hydrochloride
SMILESCC(=O)OC1(CN)CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-8(11)12-9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H
InChIKeySZQNPSGYOXDKGA-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.63
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl] acetate;hydrochloride

[1-(aminomethyl)cyclohexyl] acetate;hydrochloride (PubChem CID 68801396) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl] acetate;hydrochloride.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl] acetate;hydrochloride
PubChem CID68801396
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name[1-(aminomethyl)cyclohexyl] acetate;hydrochloride
SMILESCC(=O)OC1(CN)CCCCC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-8(11)12-9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H
InChIKeySZQNPSGYOXDKGA-UHFFFAOYSA-N
XLogP1.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl] acetate;hydrochloride?
The IUPAC name of [1-(aminomethyl)cyclohexyl] acetate;hydrochloride (CID 68801396) is [1-(aminomethyl)cyclohexyl] acetate;hydrochloride.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl] acetate;hydrochloride?
The canonical SMILES for [1-(aminomethyl)cyclohexyl] acetate;hydrochloride is CC(=O)OC1(CN)CCCCC1.Cl.
What is the InChIKey of [1-(aminomethyl)cyclohexyl] acetate;hydrochloride?
The InChIKey is SZQNPSGYOXDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-8(11)12-9(7-10)5-3-2-4-6-9;/h2-7,10H2,1H3;1H.
What are the key properties of [1-(aminomethyl)cyclohexyl] acetate;hydrochloride?
[1-(aminomethyl)cyclohexyl] acetate;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl] acetate;hydrochloride is sourced from PubChem (CID 68801396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).