1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride

C10H20ClNO2 — CID 69470223

IUPAC1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCCNC1(C(=O)O)CCCCC1C.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-11-10(9(12)13)7-5-4-6-8(10)2;/h8,11H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyRMWYSMOUBUQCNF-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.05
Rot. Bonds3

About 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride

1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 69470223) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID69470223
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride
SMILESCCNC1(C(=O)O)CCCCC1C.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-3-11-10(9(12)13)7-5-4-6-8(10)2;/h8,11H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyRMWYSMOUBUQCNF-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride (CID 69470223) is 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride is CCNC1(C(=O)O)CCCCC1C.Cl.
What is the InChIKey of 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is RMWYSMOUBUQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-3-11-10(9(12)13)7-5-4-6-8(10)2;/h8,11H,3-7H2,1-2H3,(H,12,13);1H.
What are the key properties of 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride?
1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 69470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).