4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine

C12H14N2 — CID 116641422

IUPAC4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine
SMILESNCCC#CC1CCc2cccnc21
InChIInChI=1S/C12H14N2/c13-8-2-1-4-10-6-7-11-5-3-9-14-12(10)11/h3,5,9-10H,2,6-8,13H2
InChIKeyPMQPLRMLHGKNHT-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.46
Rot. Bonds1

About 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine

4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine (PubChem CID 116641422) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine
PubChem CID116641422
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine
SMILESNCCC#CC1CCc2cccnc21
InChIInChI=1S/C12H14N2/c13-8-2-1-4-10-6-7-11-5-3-9-14-12(10)11/h3,5,9-10H,2,6-8,13H2
InChIKeyPMQPLRMLHGKNHT-UHFFFAOYSA-N
XLogP1.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.46
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

7-(4-chlorobut-1-ynyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79739326
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773823
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methoxyethanamine
CID 79747968
7-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine;propane
CID 144513567
3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 19851779
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-ethoxyethanamine
CID 79747927
3-(2,3-dihydro-1H-inden-1-yl)prop-2-yn-1-amine
CID 68707064
4-amino-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylbutan-1-one
CID 116594877
2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanamine
CID 79748660
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine (CID 116641422) is 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine is NCCC#CC1CCc2cccnc21.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine?
The InChIKey is PMQPLRMLHGKNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-2-1-4-10-6-7-11-5-3-9-14-12(10)11/h3,5,9-10H,2,6-8,13H2.
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine?
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine has a molecular weight of 186.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)but-3-yn-1-amine is sourced from PubChem (CID 116641422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).