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

C15H18N2O — CID 54884226

IUPAC2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H18N2O/c1-17(11-12-8-9-12)15(18)14-7-3-2-5-13(14)6-4-10-16/h2-3,5,7,12H,8-11,16H2,1H3
InChIKeyMFCOZJCSXUXLFL-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.48
Rot. Bonds3

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

2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide (PubChem CID 54884226) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
PubChem CID54884226
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
SMILESCN(CC1CC1)C(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H18N2O/c1-17(11-12-8-9-12)15(18)14-7-3-2-5-13(14)6-4-10-16/h2-3,5,7,12H,8-11,16H2,1H3
InChIKeyMFCOZJCSXUXLFL-UHFFFAOYSA-N
XLogP1.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
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-cycloheptyl-N-methylbenzamide
CID 60821770
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 54922271
2-(3-aminoprop-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60821942
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858720
N-cyclopropyl-N-(cyclopropylmethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64522020
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 81112328
2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103190523
3-(3-aminoprop-1-ynyl)-N,N-bis(cyclopropylmethyl)pyridine-2-carboxamide
CID 107524467
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide (CID 54884226) is 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide is CN(CC1CC1)C(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide?
The InChIKey is MFCOZJCSXUXLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(11-12-8-9-12)15(18)14-7-3-2-5-13(14)6-4-10-16/h2-3,5,7,12H,8-11,16H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide?
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 1.48, 3 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-(cyclopropylmethyl)-N-methylbenzamide is sourced from PubChem (CID 54884226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).