3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide

C15H22N2O — CID 103743332

IUPAC3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
SMILESCC(C)C1(CNCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C15H22N2O/c1-11(2)15(6-7-15)10-17-9-12-4-3-5-13(8-12)14(16)18/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H2,16,18)
InChIKeyVGANTGNBFXTTAJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.31
Rot. Bonds6

About 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide

3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide (PubChem CID 103743332) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
PubChem CID103743332
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
SMILESCC(C)C1(CNCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C15H22N2O/c1-11(2)15(6-7-15)10-17-9-12-4-3-5-13(8-12)14(16)18/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H2,16,18)
InChIKeyVGANTGNBFXTTAJ-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]benzamide
CID 115358989
3-[[(1-methylcyclopropyl)amino]methyl]benzamide
CID 115635058
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzonitrile
CID 103743400
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
3-[[(3-hydroxy-4-methylpentyl)amino]methyl]benzamide
CID 111468183
3-[(2-cyanopropylamino)methyl]benzamide
CID 63277351
3-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzamide
CID 103848289
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
3-[[(3-amino-2-hydroxy-3-oxopropyl)amino]methyl]benzamide
CID 114153512
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide (CID 103743332) is 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide is CC(C)C1(CNCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide?
The InChIKey is VGANTGNBFXTTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)15(6-7-15)10-17-9-12-4-3-5-13(8-12)14(16)18/h3-5,8,11,17H,6-7,9-10H2,1-2H3,(H2,16,18).
What are the key properties of 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide?
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide is sourced from PubChem (CID 103743332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).