N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride

C9H19ClN2O2 — CID 86277382

IUPACN-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-13-6-9(12)11-8-4-2-7(10)3-5-8;/h7-8H,2-6,10H2,1H3,(H,11,12);1H
InChIKeyYHTLCBRQMFFOAZ-UHFFFAOYSA-N
MW222.72 g/mol
LogP0.44
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride

N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride (PubChem CID 86277382) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride
PubChem CID86277382
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC NameN-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride
SMILESCOCC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-13-6-9(12)11-8-4-2-7(10)3-5-8;/h7-8H,2-6,10H2,1H3,(H,11,12);1H
InChIKeyYHTLCBRQMFFOAZ-UHFFFAOYSA-N
XLogP0.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride (CID 86277382) is N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride is COCC(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride?
The InChIKey is YHTLCBRQMFFOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-13-6-9(12)11-8-4-2-7(10)3-5-8;/h7-8H,2-6,10H2,1H3,(H,11,12);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methoxyacetamide;hydrochloride is sourced from PubChem (CID 86277382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).