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

C10H20ClNO2 — CID 45260252

IUPAC2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
SMILESCC1CCCC(CN)(CC(=O)O)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-3-2-4-10(5-8,7-11)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H
InChIKeyWYSVJSFSGKOKQN-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.04
Rot. Bonds3

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

2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride (PubChem CID 45260252) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
PubChem CID45260252
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
SMILESCC1CCCC(CN)(CC(=O)O)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-3-2-4-10(5-8,7-11)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H
InChIKeyWYSVJSFSGKOKQN-UHFFFAOYSA-N
XLogP2.04
TPSA63.32 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
2-[(1S,3S,6R)-3-(aminomethyl)-3-bicyclo[4.2.0]octanyl]acetic acid
CID 57438053
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 11557357
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
2-[(3S,4S)-1-(aminomethyl)-3,4-diethylcyclopentyl]acetic acid
CID 46886675
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
(1-hexyl-3-methylcyclohexyl)methanamine
CID 65394877

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride (CID 45260252) is 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride is CC1CCCC(CN)(CC(=O)O)C1.Cl.
What is the InChIKey of 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride?
The InChIKey is WYSVJSFSGKOKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8-3-2-4-10(5-8,7-11)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride?
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 2.04, 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-methylcyclohexyl]acetic acid;hydrochloride is sourced from PubChem (CID 45260252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).