3-[(2-cyanopropylamino)methyl]benzamide

C12H15N3O — CID 63277351

IUPAC3-[(2-cyanopropylamino)methyl]benzamide
SMILESCC(C#N)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15N3O/c1-9(6-13)7-15-8-10-3-2-4-11(5-10)12(14)16/h2-5,9,15H,7-8H2,1H3,(H2,14,16)
InChIKeyUKSLDGAKVHDEAJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.03
Rot. Bonds5

About 3-[(2-cyanopropylamino)methyl]benzamide

3-[(2-cyanopropylamino)methyl]benzamide (PubChem CID 63277351) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[(2-cyanopropylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-cyanopropylamino)methyl]benzamide
PubChem CID63277351
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[(2-cyanopropylamino)methyl]benzamide
SMILESCC(C#N)CNCc1cccc(C(N)=O)c1
InChIInChI=1S/C12H15N3O/c1-9(6-13)7-15-8-10-3-2-4-11(5-10)12(14)16/h2-5,9,15H,7-8H2,1H3,(H2,14,16)
InChIKeyUKSLDGAKVHDEAJ-UHFFFAOYSA-N
XLogP1.03
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[[(4-cyanophenyl)methylamino]methyl]benzamide
CID 43664709
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanenitrile
CID 43242659
3-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzamide
CID 110928608
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-(2-methylpropyl)benzamide
CID 23130390

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanopropylamino)methyl]benzamide?
The IUPAC name of 3-[(2-cyanopropylamino)methyl]benzamide (CID 63277351) is 3-[(2-cyanopropylamino)methyl]benzamide.
What is the SMILES notation for 3-[(2-cyanopropylamino)methyl]benzamide?
The canonical SMILES for 3-[(2-cyanopropylamino)methyl]benzamide is CC(C#N)CNCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2-cyanopropylamino)methyl]benzamide?
The InChIKey is UKSLDGAKVHDEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(6-13)7-15-8-10-3-2-4-11(5-10)12(14)16/h2-5,9,15H,7-8H2,1H3,(H2,14,16).
What are the key properties of 3-[(2-cyanopropylamino)methyl]benzamide?
3-[(2-cyanopropylamino)methyl]benzamide has a molecular weight of 217.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanopropylamino)methyl]benzamide is sourced from PubChem (CID 63277351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).