2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid

C11H21NO2 — CID 10776157

IUPAC2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
SMILESCC1(C)CCC(CN)(CC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-10(2)3-5-11(8-12,6-4-10)7-9(13)14/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyYEBWSGJPWITGKG-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.01
Rot. Bonds3

About 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid (PubChem CID 10776157) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
PubChem CID10776157
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
SMILESCC1(C)CCC(CN)(CC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-10(2)3-5-11(8-12,6-4-10)7-9(13)14/h3-8,12H2,1-2H3,(H,13,14)
InChIKeyYEBWSGJPWITGKG-UHFFFAOYSA-N
XLogP2.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
CID 10776156
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
2-[4-(aminomethyl)oxan-4-yl]acetic acid;hydrochloride
CID 45260303
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid;ethane
CID 145459260
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
2-[1-(aminomethyl)-3,3,4,4-tetradeuteriocyclohexyl]acetic acid
CID 25217867
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid (CID 10776157) is 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid is CC1(C)CCC(CN)(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid?
The InChIKey is YEBWSGJPWITGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)3-5-11(8-12,6-4-10)7-9(13)14/h3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid?
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid is sourced from PubChem (CID 10776157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).