N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C12H14N2 — CID 102773823

IUPACN-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESC#CCCNC1CCc2cccnc21
InChIInChI=1S/C12H14N2/c1-2-3-8-13-11-7-6-10-5-4-9-14-12(10)11/h1,4-5,9,11,13H,3,6-8H2
InChIKeyZLGFGOCGXLGVEC-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.68
Rot. Bonds3

About N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102773823) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102773823
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC NameN-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESC#CCCNC1CCc2cccnc21
InChIInChI=1S/C12H14N2/c1-2-3-8-13-11-7-6-10-5-4-9-14-12(10)11/h1,4-5,9,11,13H,3,6-8H2
InChIKeyZLGFGOCGXLGVEC-UHFFFAOYSA-N
XLogP1.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
N-(3-methylsulfonylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773526
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
2-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethoxy]ethanol
CID 102772782
N-(3-methylsulfanylbutyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774294
3-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)ethylsulfanyl]propan-1-ol
CID 106309493
N-pent-4-ynyl-2,3-dihydro-1H-inden-1-amine
CID 115724846
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N-propan-2-ylpropanamide
CID 102774214
N-(3-imidazol-1-ylpropyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772810
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102773823) is N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is C#CCCNC1CCc2cccnc21.
What is the InChIKey of N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is ZLGFGOCGXLGVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-3-8-13-11-7-6-10-5-4-9-14-12(10)11/h1,4-5,9,11,13H,3,6-8H2.
What are the key properties of N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 186.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102773823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).