2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide

C16H20N2O — CID 54922271

IUPAC2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1C#CCN)C1CC1
InChIInChI=1S/C16H20N2O/c1-2-12-18(14-9-10-14)16(19)15-8-4-3-6-13(15)7-5-11-17/h3-4,6,8,14H,2,9-12,17H2,1H3
InChIKeyOPENCSWABUYIFD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide

2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide (PubChem CID 54922271) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
PubChem CID54922271
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1C#CCN)C1CC1
InChIInChI=1S/C16H20N2O/c1-2-12-18(14-9-10-14)16(19)15-8-4-3-6-13(15)7-5-11-17/h3-4,6,8,14H,2,9-12,17H2,1H3
InChIKeyOPENCSWABUYIFD-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.01
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

N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61455562
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-2-methyl-N-propylbenzamide
CID 65310176
2-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropyl-5-methylbenzamide
CID 81112858
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-N-methylbenzamide
CID 60821770
N-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-N-propylcyclopropanamine
CID 54969118
2-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-methylbenzamide
CID 54884226
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
2-(3-aminoprop-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60821942
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide (CID 54922271) is 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide is CCCN(C(=O)c1ccccc1C#CCN)C1CC1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
The InChIKey is OPENCSWABUYIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-12-18(14-9-10-14)16(19)15-8-4-3-6-13(15)7-5-11-17/h3-4,6,8,14H,2,9-12,17H2,1H3.
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide?
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide has a molecular weight of 256.35 g/mol, XLogP of 2.01, 4 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-cyclopropyl-N-propylbenzamide is sourced from PubChem (CID 54922271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).