4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 12721443

IUPAC4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H
InChIKeyUGECKKSVDQIZQG-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.26
Rot. Bonds2

About 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride

4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 12721443) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID12721443
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H
InChIKeyUGECKKSVDQIZQG-UHFFFAOYSA-N
XLogP1.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride (CID 12721443) is 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride is Cl.NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is UGECKKSVDQIZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h6-7H,1-5,9H2,(H,10,11);1H.
What are the key properties of 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride?
4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 12721443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).