2-imino-5,5-dimethylcyclohexane-1-carboxylic acid

C9H15NO2 — CID 91008735

IUPAC2-imino-5,5-dimethylcyclohexane-1-carboxylic acid
SMILES[H]/N=C1\CCC(C)(C)CC1C(=O)O
InChIInChI=1S/C9H15NO2/c1-9(2)4-3-7(10)6(5-9)8(11)12/h6,10H,3-5H2,1-2H3,(H,11,12)/b10-7+
InChIKeyAHQWZSDJULLJHL-JXMROGBWSA-N
MW169.22 g/mol
LogP1.92
Rot. Bonds1

About 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid

2-imino-5,5-dimethylcyclohexane-1-carboxylic acid (PubChem CID 91008735) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-imino-5,5-dimethylcyclohexane-1-carboxylic acid
PubChem CID91008735
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-imino-5,5-dimethylcyclohexane-1-carboxylic acid
SMILES[H]/N=C1\CCC(C)(C)CC1C(=O)O
InChIInChI=1S/C9H15NO2/c1-9(2)4-3-7(10)6(5-9)8(11)12/h6,10H,3-5H2,1-2H3,(H,11,12)/b10-7+
InChIKeyAHQWZSDJULLJHL-JXMROGBWSA-N
XLogP1.92
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Iminocyclohexane-1-carboxylic acid
CID 57150153
4-Carboxycyclohexylidene imine
CID 129846521
3-Imino-1-(2-methylpropyl)cycloheptane-1-carboxylic acid
CID 23297619
2-Imino-6-methylheptanoic acid
CID 54080866
2-Propanimidoyloctanoic acid
CID 54204957
2-Iminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 57144021
2-[3-(Carboxymethanimidoyl)cyclohexyl]-2-iminoacetic acid
CID 57184086
3-Imino-4-methylheptanoic acid
CID 57251773
7-Imino-2-methyloctanoic acid
CID 58165156
3,5-Diiminocyclohexane-1-carboxylic acid
CID 68431437
(4R)-3-imino-4-methyltridecanoic acid
CID 89035757
Methyl 2-imino-5,5-dimethylcyclohexane-1-carboxylate
CID 90796487

Frequently Asked Questions

What is the IUPAC name of 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid (CID 91008735) is 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid is [H]/N=C1\CCC(C)(C)CC1C(=O)O.
What is the InChIKey of 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is AHQWZSDJULLJHL-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2)4-3-7(10)6(5-9)8(11)12/h6,10H,3-5H2,1-2H3,(H,11,12)/b10-7+.
What are the key properties of 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid?
2-imino-5,5-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5,5-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 91008735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).