1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid

C13H23NO2 — CID 115000314

IUPAC1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC1CC1(C)C)C(=O)O
InChIInChI=1S/C13H23NO2/c1-9-6-4-5-7-13(9,11(15)16)14-10-8-12(10,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyXKBLAPLOIHIKJN-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds3

About 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 115000314) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID115000314
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC1CC1(C)C)C(=O)O
InChIInChI=1S/C13H23NO2/c1-9-6-4-5-7-13(9,11(15)16)14-10-8-12(10,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyXKBLAPLOIHIKJN-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-(cycloheptylamino)-2-methylcyclohexane-1-carboxylic acid
CID 60997493
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81321246
1-(cyclohexylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61292847
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
2-methyl-1-(pentanoylamino)cyclohexane-1-carboxylic acid
CID 61293760
1-(methoxycarbonylsulfamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 114462405
1-(cyclopentylamino)-2-methylcyclohexane-1-carboxamide
CID 61001241
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 115000314) is 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC1CC1(C)C)C(=O)O.
What is the InChIKey of 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is XKBLAPLOIHIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9-6-4-5-7-13(9,11(15)16)14-10-8-12(10,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-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-[(2,2-dimethylcyclopropyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 115000314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).