1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid

C15H21NO2 — CID 115242711

IUPAC1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(NCC2(C(=O)O)CC2)c1C
InChIInChI=1S/C15H21NO2/c1-9-7-10(2)12(4)13(11(9)3)16-8-15(5-6-15)14(17)18/h7,16H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyRSXQPNPTEJWCHM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.20
Rot. Bonds4

About 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid

1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115242711) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115242711
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)c(C)c(NCC2(C(=O)O)CC2)c1C
InChIInChI=1S/C15H21NO2/c1-9-7-10(2)12(4)13(11(9)3)16-8-15(5-6-15)14(17)18/h7,16H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyRSXQPNPTEJWCHM-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxy-3,5-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242776
1-[(2-methyl-5-propan-2-ylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242747
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
1-[(2,3,5,6-tetramethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181806
1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242913
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246521
[1-(methylaminomethyl)cyclopropyl]-(2,3,5,6-tetramethylphenyl)methanone
CID 116921362
1-[[(2,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312080
1-[(5-chloro-2-methyl-4-nitroanilino)methyl]cyclopropane-1-carboxylic acid
CID 113334501
(2,3,5,6-tetramethylphenyl)carbamic acid
CID 115170617
1-[[(2,5-dibromo-4-methylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450230
1-[[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450378

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid (CID 115242711) is 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid is Cc1cc(C)c(C)c(NCC2(C(=O)O)CC2)c1C.
What is the InChIKey of 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is RSXQPNPTEJWCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-7-10(2)12(4)13(11(9)3)16-8-15(5-6-15)14(17)18/h7,16H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid?
1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115242711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).