1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride

C12H20ClNO2 — CID 67825841

IUPAC1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride
SMILESCCCC1C=CC=CC1(C(=O)O)N(C)C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-7-10-8-5-6-9-12(10,11(14)15)13(2)3;/h5-6,8-10H,4,7H2,1-3H3,(H,14,15);1H
InChIKeyNFORQOLNACKQHG-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.34
Rot. Bonds4

About 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride

1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride (PubChem CID 67825841) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride
PubChem CID67825841
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC Name1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride
SMILESCCCC1C=CC=CC1(C(=O)O)N(C)C.Cl
InChIInChI=1S/C12H19NO2.ClH/c1-4-7-10-8-5-6-9-12(10,11(14)15)13(2)3;/h5-6,8-10H,4,7H2,1-3H3,(H,14,15);1H
InChIKeyNFORQOLNACKQHG-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride (CID 67825841) is 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride is CCCC1C=CC=CC1(C(=O)O)N(C)C.Cl.
What is the InChIKey of 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride?
The InChIKey is NFORQOLNACKQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.ClH/c1-4-7-10-8-5-6-9-12(10,11(14)15)13(2)3;/h5-6,8-10H,4,7H2,1-3H3,(H,14,15);1H.
What are the key properties of 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride?
1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride has a molecular weight of 245.75 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-6-propylcyclohexa-2,4-diene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 67825841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).