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

C10H20ClNO2 — CID 45264293

IUPAC2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride
SMILESCC1CCC(CN)(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-2-4-10(7-11,5-3-8)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H
InChIKeyQXGVLTHVXFSHLM-UHFFFAOYSA-N
MW221.73 g/mol
LogP2.04
Rot. Bonds3

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

2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride (PubChem CID 45264293) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride
PubChem CID45264293
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride
SMILESCC1CCC(CN)(CC(=O)O)CC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-8-2-4-10(7-11,5-3-8)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H
InChIKeyQXGVLTHVXFSHLM-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

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CID 3446
Gabapentin hydrochloride
CID 6453919
1-(Aminomethyl)cyclohexaneacetate
CID 6919078
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)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride
CID 45264435

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride (CID 45264293) is 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride is CC1CCC(CN)(CC(=O)O)CC1.Cl.
What is the InChIKey of 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride?
The InChIKey is QXGVLTHVXFSHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-8-2-4-10(7-11,5-3-8)6-9(12)13;/h8H,2-7,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-[1-(aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride?
2-[1-(aminomethyl)-4-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)-4-methylcyclohexyl]acetic acid;hydrochloride is sourced from PubChem (CID 45264293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).