1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H17ClN2O — CID 65109143

IUPAC1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2cccc(Cl)n2)CCCCC1
InChIInChI=1S/C12H17ClN2O/c13-10-5-4-6-11(15-10)14-9-12(16)7-2-1-3-8-12/h4-6,16H,1-3,7-9H2,(H,14,15)
InChIKeyHNCKWEFQHHODGL-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.84
Rot. Bonds3

About 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65109143) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID65109143
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2cccc(Cl)n2)CCCCC1
InChIInChI=1S/C12H17ClN2O/c13-10-5-4-6-11(15-10)14-9-12(16)7-2-1-3-8-12/h4-6,16H,1-3,7-9H2,(H,14,15)
InChIKeyHNCKWEFQHHODGL-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-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-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
1-[[(6-fluoro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 65108918
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
2-chloro-6-[(1-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 83076259
1-[[(6-chloro-4-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 113350219
6-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridin-2-amine
CID 80734751
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65102710
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65123093
1-[[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 113401015
1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
CID 104834640
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 65109143) is 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is OC1(CNc2cccc(Cl)n2)CCCCC1.
What is the InChIKey of 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HNCKWEFQHHODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-10-5-4-6-11(15-10)14-9-12(16)7-2-1-3-8-12/h4-6,16H,1-3,7-9H2,(H,14,15).
What are the key properties of 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65109143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).