2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid

C15H30N2O2 — CID 107426101

IUPAC2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
SMILESCC1CC(C)(C)CCC1N(CCN(C)C)CC(=O)O
InChIInChI=1S/C15H30N2O2/c1-12-10-15(2,3)7-6-13(12)17(11-14(18)19)9-8-16(4)5/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyGDPAHKVVCJLYJS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.15
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid (PubChem CID 107426101) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
PubChem CID107426101
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
SMILESCC1CC(C)(C)CCC1N(CCN(C)C)CC(=O)O
InChIInChI=1S/C15H30N2O2/c1-12-10-15(2,3)7-6-13(12)17(11-14(18)19)9-8-16(4)5/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyGDPAHKVVCJLYJS-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-Dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266423
2-[2,2,2-Trifluoroethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 81315379
2-[2-(Dimethylamino)ethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 107426143
2-[[2-[Bis(carboxymethyl)amino]-4-tert-butylcyclohexyl]-ethylamino]acetic acid
CID 58038685
2-[Carboxymethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65065884
2-[[2-[Bis(carboxymethyl)amino]-4-methylcyclohexyl]-(carboxymethyl)amino]acetic acid
CID 118017498
2-[carboxymethyl-[(1S,2S)-2-methylcyclohexyl]amino]acetic acid
CID 149582527
2-[[2-[Bis(carboxymethyl)amino]-4-tert-butylcyclohexyl]-(carboxymethyl)amino]acetic acid
CID 155629745
Sodium 2-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]acetate
CID 177337638
2-[Methyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43442432
2-[Ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 54900494
2-[(2-Ethylcyclohexyl)-(2-methylpropyl)amino]acetic acid
CID 55250948

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid (CID 107426101) is 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid is CC1CC(C)(C)CCC1N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid?
The InChIKey is GDPAHKVVCJLYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-10-15(2,3)7-6-13(12)17(11-14(18)19)9-8-16(4)5/h12-13H,6-11H2,1-5H3,(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid has a molecular weight of 270.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 107426101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).