1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol

C17H23N3O — CID 65120155

IUPAC1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cnnc3ccccc23)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-7-9-17(21,10-8-13)12-18-16-11-19-20-15-6-4-3-5-14(15)16/h3-6,11,13,21H,2,7-10,12H2,1H3,(H,18,20)
InChIKeyCFCYKSVSIMLAHH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.37
Rot. Bonds4

About 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol

1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65120155) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65120155
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cnnc3ccccc23)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-7-9-17(21,10-8-13)12-18-16-11-19-20-15-6-4-3-5-14(15)16/h3-6,11,13,21H,2,7-10,12H2,1H3,(H,18,20)
InChIKeyCFCYKSVSIMLAHH-UHFFFAOYSA-N
XLogP3.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(cinnolin-4-ylamino)methyl]-4-methylcyclohexan-1-ol
CID 65118174
N-[(1-cyclopropylcyclopropyl)methyl]cinnolin-4-amine
CID 114096455
N-[[1-(chloromethyl)cyclopropyl]methyl]cinnolin-4-amine
CID 115455792
[1-[(cinnolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360663
N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
CID 103353871
4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118652
2-(cinnolin-4-ylamino)-1-cyclopropylethanol
CID 63586399
1-[(benzylamino)methyl]-4-ethylcyclohexan-1-ol
CID 62772640
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
1-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 104834643
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
4,4-dimethyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118181

Frequently Asked Questions

What is the IUPAC name of 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol (CID 65120155) is 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cnnc3ccccc23)CC1.
What is the InChIKey of 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is CFCYKSVSIMLAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-7-9-17(21,10-8-13)12-18-16-11-19-20-15-6-4-3-5-14(15)16/h3-6,11,13,21H,2,7-10,12H2,1H3,(H,18,20).
What are the key properties of 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol?
1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cinnolin-4-ylamino)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65120155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).