2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid

C12H23NO2 — CID 83909857

IUPAC2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
SMILESCC1CCCC(C)(C)C1(CN)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-9-5-4-6-11(2,3)12(9,8-13)7-10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyJYOCZJDEIWFCCB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid

2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid (PubChem CID 83909857) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
PubChem CID83909857
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
SMILESCC1CCCC(C)(C)C1(CN)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-9-5-4-6-11(2,3)12(9,8-13)7-10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyJYOCZJDEIWFCCB-UHFFFAOYSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,2S)-1-(aminomethyl)-2-methylcyclobutyl]acetic acid
CID 57289063
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
2-(1-hydroxy-2,2,5-trimethylcyclopentyl)acetic acid
CID 83906993
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
cis-(1R,6S)-2,2,6-trimethyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 121395484
2-[1-(dimethylamino)-2-methylcyclohexyl]acetic acid
CID 64528940
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 68534251
2-[(1R,2R,5R)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 68530353
[(1R,2S)-1-(carboxymethyl)-2-methylcyclohexyl]methylazanium chloride
CID 10656622
[(1S,2R)-1,2-dimethylcyclopentyl]methanol
CID 167089966

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid (CID 83909857) is 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid is CC1CCCC(C)(C)C1(CN)CC(=O)O.
What is the InChIKey of 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid?
The InChIKey is JYOCZJDEIWFCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-5-4-6-11(2,3)12(9,8-13)7-10(14)15/h9H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid?
2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid has a molecular weight of 213.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid is sourced from PubChem (CID 83909857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).