2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride

C11H22ClNO2 — CID 45264435

IUPAC2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride
SMILESCC1(C)CCCC(CN)(CC(=O)O)C1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-10(2)4-3-5-11(7-10,8-12)6-9(13)14;/h3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyWRJMVUCUIPZLCD-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.43
Rot. Bonds3

About 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride

2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride (PubChem CID 45264435) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride
PubChem CID45264435
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride
SMILESCC1(C)CCCC(CN)(CC(=O)O)C1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-10(2)4-3-5-11(7-10,8-12)6-9(13)14;/h3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyWRJMVUCUIPZLCD-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(Aminomethyl)cyclohexaneacetate
CID 6919078
4-Amino-3-cyclohexylbutanoic acid
CID 3627275
2-[1-(Aminomethyl)-3-methylcyclopentyl]acetic acid
CID 9793968
2-[(1S,3R)-1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 9794482
2-((1S,3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic acid
CID 9815345
2-((1R,3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic acid
CID 9942502
rac-2-((3R,5S)-1-(Aminomethyl)-3,5-dimethylcyclohexyl)acetic acid hydrochloride, AldrichCPR
CID 45260319
2-[1-(Aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride
CID 45264293

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride (CID 45264435) is 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride is CC1(C)CCCC(CN)(CC(=O)O)C1.Cl.
What is the InChIKey of 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride?
The InChIKey is WRJMVUCUIPZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-10(2)4-3-5-11(7-10,8-12)6-9(13)14;/h3-8,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride?
2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride is sourced from PubChem (CID 45264435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).