2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C14H18N4 — CID 113414930

IUPAC2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NC/C=C/CN)CCCC2
InChIInChI=1S/C14H18N4/c15-7-3-4-8-17-14-12(10-16)9-11-5-1-2-6-13(11)18-14/h3-4,9H,1-2,5-8,15H2,(H,17,18)/b4-3+
InChIKeyGHNOFHZVHJRZAE-ONEGZZNKSA-N
MW242.33 g/mol
LogP1.76
Rot. Bonds4

About 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 113414930) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID113414930
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NC/C=C/CN)CCCC2
InChIInChI=1S/C14H18N4/c15-7-3-4-8-17-14-12(10-16)9-11-5-1-2-6-13(11)18-14/h3-4,9H,1-2,5-8,15H2,(H,17,18)/b4-3+
InChIKeyGHNOFHZVHJRZAE-ONEGZZNKSA-N
XLogP1.76
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
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-(1,3-thiazol-2-ylmethylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 55207503
2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 83039208
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 65043382
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 103877964
2-[2-(cyclohexen-1-yl)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63510279

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 113414930) is 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1NC/C=C/CN)CCCC2.
What is the InChIKey of 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is GHNOFHZVHJRZAE-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H18N4/c15-7-3-4-8-17-14-12(10-16)9-11-5-1-2-6-13(11)18-14/h3-4,9H,1-2,5-8,15H2,(H,17,18)/b4-3+.
What are the key properties of 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 113414930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).