3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide

C15H18N2O — CID 60821489

IUPAC3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
SMILESNCC#Cc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C15H18N2O/c16-10-4-6-12-5-3-7-13(11-12)15(18)17-14-8-1-2-9-14/h3,5,7,11,14H,1-2,8-10,16H2,(H,17,18)
InChIKeyWILYRPMAFOXGDK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.67
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide

3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide (PubChem CID 60821489) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
PubChem CID60821489
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
SMILESNCC#Cc1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C15H18N2O/c16-10-4-6-12-5-3-7-13(11-12)15(18)17-14-8-1-2-9-14/h3,5,7,11,14H,1-2,8-10,16H2,(H,17,18)
InChIKeyWILYRPMAFOXGDK-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.67
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

3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64915053
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
N-cyclopentyl-3-[2-[4-(2-methyl-4-oxopentyl)phenyl]ethynyl]benzamide
CID 158011369

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide (CID 60821489) is 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide is NCC#Cc1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide?
The InChIKey is WILYRPMAFOXGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-10-4-6-12-5-3-7-13(11-12)15(18)17-14-8-1-2-9-14/h3,5,7,11,14H,1-2,8-10,16H2,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide?
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide has a molecular weight of 242.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide is sourced from PubChem (CID 60821489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).