1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride

C9H18ClNO2 — CID 118561356

IUPAC1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCNC1CCC(C)(C(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(8(11)12)5-3-7(10-2)4-6-9;/h7,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyMHGIDJOLMDCVHV-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride

1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 118561356) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID118561356
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCNC1CCC(C)(C(=O)O)CC1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(8(11)12)5-3-7(10-2)4-6-9;/h7,10H,3-6H2,1-2H3,(H,11,12);1H
InChIKeyMHGIDJOLMDCVHV-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride (CID 118561356) is 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride is CNC1CCC(C)(C(=O)O)CC1.Cl.
What is the InChIKey of 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is MHGIDJOLMDCVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(8(11)12)5-3-7(10-2)4-6-9;/h7,10H,3-6H2,1-2H3,(H,11,12);1H.
What are the key properties of 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride?
1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylamino)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 118561356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).