4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide

C15H25N3O — CID 114484920

IUPAC4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN(C)CC(C)(C)CN
InChIInChI=1S/C15H25N3O/c1-11-7-12(14(17)19)5-6-13(11)8-18(4)10-15(2,3)9-16/h5-7H,8-10,16H2,1-4H3,(H2,17,19)
InChIKeyBZOVTOHEYJFNNL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.51
Rot. Bonds6

About 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide

4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide (PubChem CID 114484920) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide
PubChem CID114484920
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN(C)CC(C)(C)CN
InChIInChI=1S/C15H25N3O/c1-11-7-12(14(17)19)5-6-13(11)8-18(4)10-15(2,3)9-16/h5-7H,8-10,16H2,1-4H3,(H2,17,19)
InChIKeyBZOVTOHEYJFNNL-UHFFFAOYSA-N
XLogP1.51
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
CID 114484817
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
4-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-bromobenzamide
CID 82810214
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid
CID 114485374
4-[(3-amino-2,2-dimethylpropyl)-methylsulfamoyl]benzamide
CID 79652029
N'-[(4-chloro-2-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 120842834
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
4-(anilinomethyl)-3-methylbenzamide
CID 114479545

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide (CID 114484920) is 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CN(C)CC(C)(C)CN.
What is the InChIKey of 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide?
The InChIKey is BZOVTOHEYJFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-7-12(14(17)19)5-6-13(11)8-18(4)10-15(2,3)9-16/h5-7H,8-10,16H2,1-4H3,(H2,17,19).
What are the key properties of 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide?
4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114484920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).