2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H25N3 — CID 65043382

IUPAC2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCC(CC)(CC)Nc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C17H25N3/c1-4-17(5-2,6-3)20-16-14(12-18)11-13-9-7-8-10-15(13)19-16/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyXTRNMEJQIAUYDP-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 65043382) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID65043382
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCCC(CC)(CC)Nc1nc2c(cc1C#N)CCCC2
InChIInChI=1S/C17H25N3/c1-4-17(5-2,6-3)20-16-14(12-18)11-13-9-7-8-10-15(13)19-16/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyXTRNMEJQIAUYDP-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106185583
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 106171457
3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
CID 64699609
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(hex-1-yn-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106230839
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
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-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 65043382) is 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is CCC(CC)(CC)Nc1nc2c(cc1C#N)CCCC2.
What is the InChIKey of 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is XTRNMEJQIAUYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-17(5-2,6-3)20-16-14(12-18)11-13-9-7-8-10-15(13)19-16/h11H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 271.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 65043382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).