4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol

C15H24N2O — CID 65116152

IUPAC4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCc2ccncc2)CC1
InChIInChI=1S/C15H24N2O/c1-13-2-7-15(18,8-3-13)12-17-11-6-14-4-9-16-10-5-14/h4-5,9-10,13,17-18H,2-3,6-8,11-12H2,1H3
InChIKeyQERFQIKFQOGFSY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds5

About 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol (PubChem CID 65116152) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
PubChem CID65116152
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCCc2ccncc2)CC1
InChIInChI=1S/C15H24N2O/c1-13-2-7-15(18,8-3-13)12-17-11-6-14-4-9-16-10-5-14/h4-5,9-10,13,17-18H,2-3,6-8,11-12H2,1H3
InChIKeyQERFQIKFQOGFSY-UHFFFAOYSA-N
XLogP2.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[(2-pyridin-3-ylethylamino)methyl]cyclohexan-1-ol
CID 65118345
4-methyl-1-(propylaminomethyl)cyclohexan-1-ol
CID 62775285
4-hydroxy-4-[(pyridin-4-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499063
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
CID 65117177
N,N-dimethyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclobutan-1-amine
CID 105416373
4-methyl-1-[(pyrimidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 65116294
1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
2-[1-[(2-pyridin-4-ylethylamino)methyl]cyclopropyl]ethanol
CID 114756649
1-[(isoquinolin-5-ylmethylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115558
1-[(2-phenylethylamino)methyl]cyclopentan-1-ol
CID 65105220
1-[(2-methoxyethylamino)methyl]-4-methylcyclohexan-1-ol
CID 62773369
1-(ethylaminomethyl)-4-methylcyclohexan-1-ol
CID 21302977

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol (CID 65116152) is 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNCCc2ccncc2)CC1.
What is the InChIKey of 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol?
The InChIKey is QERFQIKFQOGFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-2-7-15(18,8-3-13)12-17-11-6-14-4-9-16-10-5-14/h4-5,9-10,13,17-18H,2-3,6-8,11-12H2,1H3.
What are the key properties of 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-pyridin-4-ylethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).