2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 71758076

IUPAC2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCCCC1N.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(7(10)11)5-3-2-4-6(8)9;/h6H,2-5,9H2,1H3,(H,10,11);1H
InChIKeyPWJQZCBUZCWMHN-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.40
Rot. Bonds1

About 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride

2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 71758076) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID71758076
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCC1(C(=O)O)CCCCC1N.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(7(10)11)5-3-2-4-6(8)9;/h6H,2-5,9H2,1H3,(H,10,11);1H
InChIKeyPWJQZCBUZCWMHN-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride (CID 71758076) is 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride is CC1(C(=O)O)CCCCC1N.Cl.
What is the InChIKey of 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is PWJQZCBUZCWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(7(10)11)5-3-2-4-6(8)9;/h6H,2-5,9H2,1H3,(H,10,11);1H.
What are the key properties of 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride?
2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 71758076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).