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

C9H18ClNO2 — CID 67519696

IUPAC1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCCC1(C(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c10-7-6-9(8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChIKeyKDHJRBMAVVBSKJ-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.79
Rot. Bonds3

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

1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 67519696) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID67519696
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCCC1(C(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c10-7-6-9(8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChIKeyKDHJRBMAVVBSKJ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride (CID 67519696) is 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride is Cl.NCCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is KDHJRBMAVVBSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-7-6-9(8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H.
What are the key properties of 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride?
1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67519696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).