4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride

C9H18ClNO2 — CID 70056706

IUPAC4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO2.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h7-8H,1-6,10H2,(H,11,12);1H
InChIKeyIZBQLFNVLWGBJU-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.65
Rot. Bonds3

About 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride

4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 70056706) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID70056706
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO2.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h7-8H,1-6,10H2,(H,11,12);1H
InChIKeyIZBQLFNVLWGBJU-UHFFFAOYSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride (CID 70056706) is 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride is Cl.NCCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is IZBQLFNVLWGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-6-5-7-1-3-8(4-2-7)9(11)12;/h7-8H,1-6,10H2,(H,11,12);1H.
What are the key properties of 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70056706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).