4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid

C16H24N2O2 — CID 105415380

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(15(19)20)6-7-14(12)18(4)11-16(17(2)3)8-5-9-16/h6-7,10H,5,8-9,11H2,1-4H3,(H,19,20)
InChIKeyMGWORMJBZMQKBN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid (PubChem CID 105415380) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
PubChem CID105415380
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(15(19)20)6-7-14(12)18(4)11-16(17(2)3)8-5-9-16/h6-7,10H,5,8-9,11H2,1-4H3,(H,19,20)
InChIKeyMGWORMJBZMQKBN-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,5-difluorobenzoic acid
CID 105415374
4-[2,2-dimethylpropyl(methyl)amino]-3-methylbenzoic acid
CID 62122006
3-methyl-4-[methyl(propyl)amino]benzoic acid
CID 62120072
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
CID 105414144
4-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzoic acid
CID 79379105
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-5-methylbenzenecarbothioamide
CID 107929337
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethyl-4-(methylamino)benzamide
CID 105420406
3-methyl-4-[methyl(2-methylbutan-2-yl)amino]benzoic acid
CID 63983852
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]thiophene-2-carboxylic acid
CID 105415367
1-[(N,2,4-trimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 63495824

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid (CID 105415380) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid?
The InChIKey is MGWORMJBZMQKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-13(15(19)20)6-7-14(12)18(4)11-16(17(2)3)8-5-9-16/h6-7,10H,5,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbenzoic acid is sourced from PubChem (CID 105415380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).