2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H23N3O — CID 106130351

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC1CCC(O)CC1)CCCC2
InChIInChI=1S/C17H23N3O/c18-10-14-9-13-3-1-2-4-16(13)20-17(14)19-11-12-5-7-15(21)8-6-12/h9,12,15,21H,1-8,11H2,(H,19,20)
InChIKeyOKYJZSRRWXCATR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.80
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 106130351) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID106130351
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC1CCC(O)CC1)CCCC2
InChIInChI=1S/C17H23N3O/c18-10-14-9-13-3-1-2-4-16(13)20-17(14)19-11-12-5-7-15(21)8-6-12/h9,12,15,21H,1-8,11H2,(H,19,20)
InChIKeyOKYJZSRRWXCATR-UHFFFAOYSA-N
XLogP2.80
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 107296218
2-(oxan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 61038404
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-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126918702
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 137336209
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106185583
2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103990479
2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 103877964
2-[[(E)-4-aminobut-2-enyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 113414930

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 106130351) is 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1NCC1CCC(O)CC1)CCCC2.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is OKYJZSRRWXCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c18-10-14-9-13-3-1-2-4-16(13)20-17(14)19-11-12-5-7-15(21)8-6-12/h9,12,15,21H,1-8,11H2,(H,19,20).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 106130351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).