2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid

C12H23NO2 — CID 66098761

IUPAC2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
SMILESCC1CC(C)CC(CC(=O)O)(C(C)N)C1
InChIInChI=1S/C12H23NO2/c1-8-4-9(2)6-12(5-8,10(3)13)7-11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyZMWKLHODZCCBCN-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.25
Rot. Bonds3

About 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid

2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid (PubChem CID 66098761) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
PubChem CID66098761
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid
SMILESCC1CC(C)CC(CC(=O)O)(C(C)N)C1
InChIInChI=1S/C12H23NO2/c1-8-4-9(2)6-12(5-8,10(3)13)7-11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyZMWKLHODZCCBCN-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-[1-(1-aminoethyl)-4-ethylcyclohexyl]acetic acid
CID 66096041
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-[1-(1-aminopropyl)-3-propan-2-ylcyclobutyl]acetic acid
CID 103565425
2-[1-(1-aminoethyl)-2,4,4-trimethylcyclopentyl]acetic acid
CID 106664392
2-[3-(1-aminoethyl)-5,5-dimethylthian-3-yl]acetic acid
CID 79947141
2-[(1S,2S,4S)-1-(aminomethyl)-2,4-dimethylcyclopentyl]acetic acid
CID 20598296
2-[(5S)-1-(butylaminomethyl)-3,5-dimethylcyclohexyl]acetic acid
CID 70185846
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 130526334
2-[(1R)-1-amino-2-methylcyclopropyl]acetic acid
CID 171036084
2-[1-(1-aminopropyl)-3-ethoxycyclobutyl]acetic acid
CID 106824660
2-[(3S)-1-(aminomethyl)-3-methylcyclopentyl]acetic acid
CID 46227593
2-(1-amino-3-propan-2-ylcyclobutyl)acetic acid
CID 103565035

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid (CID 66098761) is 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid is CC1CC(C)CC(CC(=O)O)(C(C)N)C1.
What is the InChIKey of 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid?
The InChIKey is ZMWKLHODZCCBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8-4-9(2)6-12(5-8,10(3)13)7-11(14)15/h8-10H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid?
2-[1-(1-aminoethyl)-3,5-dimethylcyclohexyl]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-(1-aminoethyl)-3,5-dimethylcyclohexyl]acetic acid is sourced from PubChem (CID 66098761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).