2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C17H25N3 — CID 102906136

IUPAC2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)C(CNc1nc2c(cc1C#N)CCC2)C(C)C
InChIInChI=1S/C17H25N3/c1-11(2)15(12(3)4)10-19-17-14(9-18)8-13-6-5-7-16(13)20-17/h8,11-12,15H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyNHDFTPNPMVVXBI-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.78
Rot. Bonds5

About 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 102906136) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID102906136
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCC(C)C(CNc1nc2c(cc1C#N)CCC2)C(C)C
InChIInChI=1S/C17H25N3/c1-11(2)15(12(3)4)10-19-17-14(9-18)8-13-6-5-7-16(13)20-17/h8,11-12,15H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyNHDFTPNPMVVXBI-UHFFFAOYSA-N
XLogP3.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115622839
2-[[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]methyl]butanoic acid
CID 65226430
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79250073
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[2-(1,3-thiazol-2-yl)propylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 104577235
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 103877964
2-(2-ethylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107815193
2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]butanoic acid
CID 65226528
2-[[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 99827932
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 102906136) is 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CC(C)C(CNc1nc2c(cc1C#N)CCC2)C(C)C.
What is the InChIKey of 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is NHDFTPNPMVVXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11(2)15(12(3)4)10-19-17-14(9-18)8-13-6-5-7-16(13)20-17/h8,11-12,15H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 271.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 102906136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).