2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid

C11H22N2O2 — CID 145459263

IUPAC2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid
SMILESCCNC1CCC(CN)(CC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-13-9-3-5-11(8-12,6-4-9)7-10(14)15/h9,13H,2-8,12H2,1H3,(H,14,15)
InChIKeyJXZGXOIKRJYMGQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.96
Rot. Bonds5

About 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid

2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid (PubChem CID 145459263) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid
PubChem CID145459263
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid
SMILESCCNC1CCC(CN)(CC(=O)O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-13-9-3-5-11(8-12,6-4-9)7-10(14)15/h9,13H,2-8,12H2,1H3,(H,14,15)
InChIKeyJXZGXOIKRJYMGQ-UHFFFAOYSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid (CID 145459263) is 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid is CCNC1CCC(CN)(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid?
The InChIKey is JXZGXOIKRJYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-13-9-3-5-11(8-12,6-4-9)7-10(14)15/h9,13H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid?
2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-(ethylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 145459263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).