2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide

C13H21N3O — CID 141152693

IUPAC2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
SMILESCN(C)CCN(C)Cc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-15(2)8-9-16(3)10-11-6-4-5-7-12(11)13(14)17/h4-7H,8-10H2,1-3H3,(H2,14,17)
InChIKeyWXZYSTSNBOKMBZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.78
Rot. Bonds6

About 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide

2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide (PubChem CID 141152693) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
PubChem CID141152693
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
SMILESCN(C)CCN(C)Cc1ccccc1C(N)=O
InChIInChI=1S/C13H21N3O/c1-15(2)8-9-16(3)10-11-6-4-5-7-12(11)13(14)17/h4-7H,8-10H2,1-3H3,(H2,14,17)
InChIKeyWXZYSTSNBOKMBZ-UHFFFAOYSA-N
XLogP0.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[butyl(methyl)amino]methyl]benzamide
CID 82040849
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzohydrazide
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2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]benzamide
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2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
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2-[[ethyl(methyl)amino]methyl]benzoic acid
CID 43473290
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
2-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486668
2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
2-[[(2-bromophenyl)methyl-methylamino]methyl]benzenecarbothioamide
CID 61416527
3-[[3-(dimethylamino)propyl-methylamino]methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116601
3-[(2-carbamothioylphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106915708

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide (CID 141152693) is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide is CN(C)CCN(C)Cc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide?
The InChIKey is WXZYSTSNBOKMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15(2)8-9-16(3)10-11-6-4-5-7-12(11)13(14)17/h4-7H,8-10H2,1-3H3,(H2,14,17).
What are the key properties of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide?
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide is sourced from PubChem (CID 141152693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).