3-[[(1-methylcyclopropyl)amino]methyl]benzamide

C12H16N2O — CID 115635058

IUPAC3-[[(1-methylcyclopropyl)amino]methyl]benzamide
SMILESCC1(NCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C12H16N2O/c1-12(5-6-12)14-8-9-3-2-4-10(7-9)11(13)15/h2-4,7,14H,5-6,8H2,1H3,(H2,13,15)
InChIKeyGHWOOPFPKSQCHK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds4

About 3-[[(1-methylcyclopropyl)amino]methyl]benzamide

3-[[(1-methylcyclopropyl)amino]methyl]benzamide (PubChem CID 115635058) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-[[(1-methylcyclopropyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(1-methylcyclopropyl)amino]methyl]benzamide
PubChem CID115635058
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-[[(1-methylcyclopropyl)amino]methyl]benzamide
SMILESCC1(NCc2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C12H16N2O/c1-12(5-6-12)14-8-9-3-2-4-10(7-9)11(13)15/h2-4,7,14H,5-6,8H2,1H3,(H2,13,15)
InChIKeyGHWOOPFPKSQCHK-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
1-[(3-carbamoylphenyl)methylamino]cyclobutane-1-carboxylic acid
CID 81167287
3-[[(4-methyloxan-4-yl)amino]methyl]benzoic acid
CID 103264154
3-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]benzamide
CID 103743332
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide
CID 166200250
3-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 115453144
N-[(3-carbamoylphenyl)methyl]-3-methyloxolane-3-carboxamide
CID 154739738
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]benzamide
CID 82767506

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylcyclopropyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(1-methylcyclopropyl)amino]methyl]benzamide (CID 115635058) is 3-[[(1-methylcyclopropyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(1-methylcyclopropyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(1-methylcyclopropyl)amino]methyl]benzamide is CC1(NCc2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[(1-methylcyclopropyl)amino]methyl]benzamide?
The InChIKey is GHWOOPFPKSQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(5-6-12)14-8-9-3-2-4-10(7-9)11(13)15/h2-4,7,14H,5-6,8H2,1H3,(H2,13,15).
What are the key properties of 3-[[(1-methylcyclopropyl)amino]methyl]benzamide?
3-[[(1-methylcyclopropyl)amino]methyl]benzamide has a molecular weight of 204.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylcyclopropyl)amino]methyl]benzamide is sourced from PubChem (CID 115635058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).