2-(3-aminoprop-1-ynyl)-N-methylbenzamide

C11H12N2O — CID 60820705

IUPAC2-(3-aminoprop-1-ynyl)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCN
InChIInChI=1S/C11H12N2O/c1-13-11(14)10-7-3-2-5-9(10)6-4-8-12/h2-3,5,7H,8,12H2,1H3,(H,13,14)
InChIKeyAMLAKTDVEFEJHC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.36
Rot. Bonds1

About 2-(3-aminoprop-1-ynyl)-N-methylbenzamide

2-(3-aminoprop-1-ynyl)-N-methylbenzamide (PubChem CID 60820705) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-methylbenzamide
PubChem CID60820705
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3-aminoprop-1-ynyl)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCN
InChIInChI=1S/C11H12N2O/c1-13-11(14)10-7-3-2-5-9(10)6-4-8-12/h2-3,5,7H,8,12H2,1H3,(H,13,14)
InChIKeyAMLAKTDVEFEJHC-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-(3-aminoprop-1-ynyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 60822506
N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
CID 90553669
2-(3-aminoprop-1-ynyl)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701688
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106406816
2-(3-aminoprop-1-ynyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzamide
CID 79231101
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103113288

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-methylbenzamide (CID 60820705) is 2-(3-aminoprop-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-methylbenzamide is CNC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-methylbenzamide?
The InChIKey is AMLAKTDVEFEJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13-11(14)10-7-3-2-5-9(10)6-4-8-12/h2-3,5,7H,8,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-methylbenzamide has a molecular weight of 188.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 60820705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).