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

C18H24N2O — CID 60821770

IUPAC2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C#CCN)C1CCCCCC1
InChIInChI=1S/C18H24N2O/c1-20(16-11-4-2-3-5-12-16)18(21)17-13-7-6-9-15(17)10-8-14-19/h6-7,9,13,16H,2-5,11-12,14,19H2,1H3
InChIKeyYCJKQCVUDCUXFG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.79
Rot. Bonds2

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

2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide (PubChem CID 60821770) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
PubChem CID60821770
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1C#CCN)C1CCCCCC1
InChIInChI=1S/C18H24N2O/c1-20(16-11-4-2-3-5-12-16)18(21)17-13-7-6-9-15(17)10-8-14-19/h6-7,9,13,16H,2-5,11-12,14,19H2,1H3
InChIKeyYCJKQCVUDCUXFG-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide 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-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylpyridine-4-carboxamide
CID 66482895
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
3-(3-aminoprop-1-ynyl)-N-cyclobutyl-N-methylpyridine-2-carboxamide
CID 107524822
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide (CID 60821770) is 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide is CN(C(=O)c1ccccc1C#CCN)C1CCCCCC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide?
The InChIKey is YCJKQCVUDCUXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(16-11-4-2-3-5-12-16)18(21)17-13-7-6-9-15(17)10-8-14-19/h6-7,9,13,16H,2-5,11-12,14,19H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide has a molecular weight of 284.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide is sourced from PubChem (CID 60821770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).