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

C13H14N2O — CID 60821167

IUPAC3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
SMILESNCC#Cc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H14N2O/c14-8-2-4-10-3-1-5-11(9-10)13(16)15-12-6-7-12/h1,3,5,9,12H,6-8,14H2,(H,15,16)
InChIKeyRTSGJSMTBQDHJS-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.89
Rot. Bonds2

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

3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide (PubChem CID 60821167) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
PubChem CID60821167
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
SMILESNCC#Cc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H14N2O/c14-8-2-4-10-3-1-5-11(9-10)13(16)15-12-6-7-12/h1,3,5,9,12H,6-8,14H2,(H,15,16)
InChIKeyRTSGJSMTBQDHJS-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.89
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-cyclopentylbenzamide
CID 60821489
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64915053
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide
CID 11150685
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 60817013
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide (CID 60821167) is 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide is NCC#Cc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide?
The InChIKey is RTSGJSMTBQDHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-2-4-10-3-1-5-11(9-10)13(16)15-12-6-7-12/h1,3,5,9,12H,6-8,14H2,(H,15,16).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide?
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide has a molecular weight of 214.27 g/mol, XLogP of 0.89, 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-cyclopropylbenzamide is sourced from PubChem (CID 60821167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).