1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 46784064

IUPAC1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C8H15NO2.ClH/c9-6-8(7(10)11)4-2-1-3-5-8;/h1-6,9H2,(H,10,11);1H
InChIKeyMLAIBORYGCJZNW-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.40
Rot. Bonds2

About 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride

1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 46784064) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID46784064
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C8H15NO2.ClH/c9-6-8(7(10)11)4-2-1-3-5-8;/h1-6,9H2,(H,10,11);1H
InChIKeyMLAIBORYGCJZNW-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

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1-(aminomethyl)spiro[2.5]octane-1-carboxylic Acid
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1-Aminomethyl-2-(1-ethyl-propyl)-cyclopropanecarboxylic acid
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CID 10419611
1-(aminomethyl)spiro[2.3]hexane-1-carboxylic Acid
CID 10441912
rac-2-((3R,5S)-1-(Aminomethyl)-3,5-dimethylcyclohexyl)acetic acid hydrochloride, AldrichCPR
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2-[1-(Aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride
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2-[1-(Aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride (CID 46784064) is 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride is Cl.NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is MLAIBORYGCJZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c9-6-8(7(10)11)4-2-1-3-5-8;/h1-6,9H2,(H,10,11);1H.
What are the key properties of 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 46784064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).