2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol

C15H19N3O — CID 102635880

IUPAC2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
SMILESCN(c1cnnc2ccccc12)C1CCCCC1O
InChIInChI=1S/C15H19N3O/c1-18(13-8-4-5-9-15(13)19)14-10-16-17-12-7-3-2-6-11(12)14/h2-3,6-7,10,13,15,19H,4-5,8-9H2,1H3
InChIKeyOOTRMJPKSIQRKL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.37
Rot. Bonds2

About 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol

2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol (PubChem CID 102635880) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
PubChem CID102635880
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
SMILESCN(c1cnnc2ccccc12)C1CCCCC1O
InChIInChI=1S/C15H19N3O/c1-18(13-8-4-5-9-15(13)19)14-10-16-17-12-7-3-2-6-11(12)14/h2-3,6-7,10,13,15,19H,4-5,8-9H2,1H3
InChIKeyOOTRMJPKSIQRKL-UHFFFAOYSA-N
XLogP2.37
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine
CID 102637586
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
CID 102633750
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412
2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109
2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 102640101
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
N-(2-bromoethyl)-N-cyclohexylcinnolin-4-amine
CID 80676406
1-[cinnolin-4-yl(methyl)amino]butan-2-ol
CID 102548523
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
3-[cinnolin-4-yl(methyl)amino]propanenitrile
CID 63588442
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cinnolin-4-amine
CID 106619114

Frequently Asked Questions

What is the IUPAC name of 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol (CID 102635880) is 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol is CN(c1cnnc2ccccc12)C1CCCCC1O.
What is the InChIKey of 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol?
The InChIKey is OOTRMJPKSIQRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(13-8-4-5-9-15(13)19)14-10-16-17-12-7-3-2-6-11(12)14/h2-3,6-7,10,13,15,19H,4-5,8-9H2,1H3.
What are the key properties of 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol?
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 102635880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).