2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride

C11H22ClNO2 — CID 45264488

IUPAC2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride
SMILESCCC1CCC(CN)(CC(=O)O)CC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-9-3-5-11(8-12,6-4-9)7-10(13)14;/h9H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyVBNXHSMULMVTGY-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.43
Rot. Bonds4

About 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride

2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride (PubChem CID 45264488) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride
PubChem CID45264488
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Name2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride
SMILESCCC1CCC(CN)(CC(=O)O)CC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-9-3-5-11(8-12,6-4-9)7-10(13)14;/h9H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyVBNXHSMULMVTGY-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Gabapentin
CID 3446
1-(Aminomethyl)cyclohexaneacetate
CID 6919078
Gabapentin hydrochloride
CID 6453919
2-(1-(Aminomethyl)-3-ethylcyclopentyl)acetic acid
CID 21879702
2-(1-(Aminomethyl)-3-butylcyclopentyl)acetic acid
CID 46227565
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)-4-ethylcyclohexyl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride (CID 45264488) is 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride is CCC1CCC(CN)(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride?
The InChIKey is VBNXHSMULMVTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-2-9-3-5-11(8-12,6-4-9)7-10(13)14;/h9H,2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride?
2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride is sourced from PubChem (CID 45264488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).