1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid

C13H23NO2 — CID 81168184

IUPAC1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CC(C)CC(NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H23NO2/c1-9-6-10(2)8-11(7-9)14-13(12(15)16)4-3-5-13/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyWEFJWGJCWPJXQZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds3

About 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid

1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81168184) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81168184
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1CC(C)CC(NC2(C(=O)O)CCC2)C1
InChIInChI=1S/C13H23NO2/c1-9-6-10(2)8-11(7-9)14-13(12(15)16)4-3-5-13/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyWEFJWGJCWPJXQZ-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167297
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-[(2-methylcyclopropyl)amino]cyclopentane-1-carboxylic acid
CID 82237610
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclobutylamino)-3-methylcyclohexane-1-carboxylic acid
CID 82237602
3,5-dimethyl-N-(1-methylcyclobutyl)cyclohexan-1-amine
CID 115924429
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid (CID 81168184) is 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid is CC1CC(C)CC(NC2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is WEFJWGJCWPJXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-6-10(2)8-11(7-9)14-13(12(15)16)4-3-5-13/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid?
1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81168184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).