4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride

C10H21ClN2O3 — CID 160649410

IUPAC4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride
SMILESCN(C)C=O.Cl.NC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2.C3H7NO.ClH/c8-6-3-1-5(2-4-6)7(9)10;1-4(2)3-5;/h5-6H,1-4,8H2,(H,9,10);3H,1-2H3;1H
InChIKeyODKRELZABXGRPV-UHFFFAOYSA-N
MW252.74 g/mol
LogP0.71
Rot. Bonds2

About 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride

4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride (PubChem CID 160649410) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride.

Molecular Properties

Compound Name4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride
PubChem CID160649410
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Name4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride
SMILESCN(C)C=O.Cl.NC1CCC(C(=O)O)CC1
InChIInChI=1S/C7H13NO2.C3H7NO.ClH/c8-6-3-1-5(2-4-6)7(9)10;1-4(2)3-5;/h5-6H,1-4,8H2,(H,9,10);3H,1-2H3;1H
InChIKeyODKRELZABXGRPV-UHFFFAOYSA-N
XLogP0.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 142197822
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CID 89047170
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
4-aminocyclohexane-1-carboxylic acid;methane;methanol;methyl 4-aminocyclohexane-1-carboxylate;thionyl dichloride;hydrochloride
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CID 89303150

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride?
The IUPAC name of 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride (CID 160649410) is 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride.
What is the SMILES notation for 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride?
The canonical SMILES for 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride is CN(C)C=O.Cl.NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride?
The InChIKey is ODKRELZABXGRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C3H7NO.ClH/c8-6-3-1-5(2-4-6)7(9)10;1-4(2)3-5;/h5-6H,1-4,8H2,(H,9,10);3H,1-2H3;1H.
What are the key properties of 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride?
4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1-carboxylic acid;N,N-dimethylformamide;hydrochloride is sourced from PubChem (CID 160649410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).