2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H23N3O — CID 115585370

IUPAC2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCCCOCCCNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H23N3O/c1-2-3-9-20-10-5-8-18-16-14(12-17)11-13-6-4-7-15(13)19-16/h11H,2-10H2,1H3,(H,18,19)
InChIKeyFPMCTCLRGAXYFF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds8

About 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 115585370) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID115585370
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCCCOCCCNc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C16H23N3O/c1-2-3-9-20-10-5-8-18-16-14(12-17)11-13-6-4-7-15(13)19-16/h11H,2-10H2,1H3,(H,18,19)
InChIKeyFPMCTCLRGAXYFF-UHFFFAOYSA-N
XLogP3.06
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103990479
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 83039208
2-(2-ethylsulfinylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115627399
2-(2-ethylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107815193
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115622839
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 65043382

Frequently Asked Questions

What is the IUPAC name of 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 115585370) is 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCCCOCCCNc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is FPMCTCLRGAXYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-9-20-10-5-8-18-16-14(12-17)11-13-6-4-7-15(13)19-16/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 115585370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).