4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide

C16H21N3O — CID 62979614

IUPAC4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(C#CCN)cc1)C1CC1
InChIInChI=1S/C16H21N3O/c1-19(15-8-9-15)12-11-18-16(20)14-6-4-13(5-7-14)3-2-10-17/h4-7,15H,8-12,17H2,1H3,(H,18,20)
InChIKeyTUKQXMMPBKDYOZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.82
Rot. Bonds5

About 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide

4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide (PubChem CID 62979614) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
PubChem CID62979614
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(C#CCN)cc1)C1CC1
InChIInChI=1S/C16H21N3O/c1-19(15-8-9-15)12-11-18-16(20)14-6-4-13(5-7-14)3-2-10-17/h4-7,15H,8-12,17H2,1H3,(H,18,20)
InChIKeyTUKQXMMPBKDYOZ-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]thiophene-3-carboxamide
CID 79684114
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
CID 54922312
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
N-(4-aminobutyl)-4-(3-aminoprop-1-ynyl)benzamide
CID 172548745
N-[2-(dimethylamino)ethyl]-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816514
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
4-(3-aminoprop-1-ynyl)-N-(4-hydroxycyclohexyl)benzamide
CID 60820586
4-(3-aminoprop-1-ynyl)-N-(4,4,4-trifluorobutyl)benzamide
CID 115521811
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(ethylamino)benzamide
CID 63316486
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide (CID 62979614) is 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide is CN(CCNC(=O)c1ccc(C#CCN)cc1)C1CC1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide?
The InChIKey is TUKQXMMPBKDYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(15-8-9-15)12-11-18-16(20)14-6-4-13(5-7-14)3-2-10-17/h4-7,15H,8-12,17H2,1H3,(H,18,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide?
4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide has a molecular weight of 271.36 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 62979614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).