1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol

C17H23N3O — CID 65116605

IUPAC1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ccc3ncccc3c2N)C1
InChIInChI=1S/C17H23N3O/c1-12-4-2-8-17(21,10-12)11-20-15-7-6-14-13(16(15)18)5-3-9-19-14/h3,5-7,9,12,20-21H,2,4,8,10-11,18H2,1H3
InChIKeyOYLAQAGDEMYOLE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds3

About 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65116605) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65116605
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2ccc3ncccc3c2N)C1
InChIInChI=1S/C17H23N3O/c1-12-4-2-8-17(21,10-12)11-20-15-7-6-14-13(16(15)18)5-3-9-19-14/h3,5-7,9,12,20-21H,2,4,8,10-11,18H2,1H3
InChIKeyOYLAQAGDEMYOLE-UHFFFAOYSA-N
XLogP3.17
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Related Compounds

1-[(4-amino-2-fluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 65116936
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
CID 62301831
6-N-ethylquinoline-5,6-diamine
CID 43809532
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
1-[(3,4-diaminoanilino)methyl]-3-methylcyclohexan-1-ol
CID 106750915
6-N-(2-cyclohexylethyl)quinoline-5,6-diamine
CID 60919863
1-[[(3-bromo-4-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 113452037
4-methyl-1-[(quinolin-4-ylamino)methyl]cyclohexan-1-ol
CID 65118652
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
1-[[(6-aminoquinolin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117031
1-[(6-amino-2,3-difluoroanilino)methyl]-3-methylcyclohexan-1-ol
CID 65116653
3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65116605) is 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2ccc3ncccc3c2N)C1.
What is the InChIKey of 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is OYLAQAGDEMYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-4-2-8-17(21,10-12)11-20-15-7-6-14-13(16(15)18)5-3-9-19-14/h3,5-7,9,12,20-21H,2,4,8,10-11,18H2,1H3.
What are the key properties of 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-aminoquinolin-6-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65116605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).