4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride

C11H20ClNO2 — CID 69033803

IUPAC4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
SMILESC=CCC1(C(=O)O)CCC(CN)CC1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-2-5-11(10(13)14)6-3-9(8-12)4-7-11;/h2,9H,1,3-8,12H2,(H,13,14);1H
InChIKeyDTAHKKTVNPASEX-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.20
Rot. Bonds4

About 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride

4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 69033803) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
PubChem CID69033803
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride
SMILESC=CCC1(C(=O)O)CCC(CN)CC1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-2-5-11(10(13)14)6-3-9(8-12)4-7-11;/h2,9H,1,3-8,12H2,(H,13,14);1H
InChIKeyDTAHKKTVNPASEX-UHFFFAOYSA-N
XLogP2.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride (CID 69033803) is 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride is C=CCC1(C(=O)O)CCC(CN)CC1.Cl.
What is the InChIKey of 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is DTAHKKTVNPASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-2-5-11(10(13)14)6-3-9(8-12)4-7-11;/h2,9H,1,3-8,12H2,(H,13,14);1H.
What are the key properties of 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride?
4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-prop-2-enylcyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 69033803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).