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

C15H21N3 — CID 54944687

IUPAC2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCCCN(CC)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H21N3/c1-3-5-9-18(4-2)15-13(11-16)10-12-7-6-8-14(12)17-15/h10H,3-9H2,1-2H3
InChIKeyCEJLIKMKONSRMM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.07
Rot. Bonds5

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

2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 54944687) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID54944687
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCCCN(CC)c1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H21N3/c1-3-5-9-18(4-2)15-13(11-16)10-12-7-6-8-14(12)17-15/h10H,3-9H2,1-2H3
InChIKeyCEJLIKMKONSRMM-UHFFFAOYSA-N
XLogP3.07
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutylmethyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 107398660
2-[bis(2-methylpropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63511622
2-[ethyl(thiophen-2-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970108
2-[2-methoxyethyl(prop-2-enyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103339000
2-[1-cyanopropan-2-yl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63224853
2-[(2-hydroxy-2-methylpropyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78964766
2-(butylsulfanylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3313460
2-[methyl(4-methylsulfanylbutan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115669194
2-(3-butoxypropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115585370
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)-(2-methylpropyl)amino]acetic acid
CID 63065717
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
2-[(4-chlorophenyl)methyl-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980616

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 54944687) is 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCCCN(CC)c1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is CEJLIKMKONSRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-5-9-18(4-2)15-13(11-16)10-12-7-6-8-14(12)17-15/h10H,3-9H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 54944687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).