2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol

C17H28N2O — CID 64735879

IUPAC2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCN(Cc1ccncc1)CC1C(C)CC(C)CC1O
InChIInChI=1S/C17H28N2O/c1-4-19(11-15-5-7-18-8-6-15)12-16-14(3)9-13(2)10-17(16)20/h5-8,13-14,16-17,20H,4,9-12H2,1-3H3
InChIKeyPCHSTXRVHVXRPH-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.95
Rot. Bonds5

About 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol

2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64735879) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID64735879
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCCN(Cc1ccncc1)CC1C(C)CC(C)CC1O
InChIInChI=1S/C17H28N2O/c1-4-19(11-15-5-7-18-8-6-15)12-16-14(3)9-13(2)10-17(16)20/h5-8,13-14,16-17,20H,4,9-12H2,1-3H3
InChIKeyPCHSTXRVHVXRPH-UHFFFAOYSA-N
XLogP2.95
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-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

2-[ethyl(pyridin-4-ylmethyl)amino]-3,5-dimethylcyclohexan-1-ol
CID 64753453
N-[(2-ethylcyclopropyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 143613245
3,5-dimethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 64735628
N-[(2-methylpiperidin-4-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 106740967
2-[(dibutylamino)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64736657
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 103061377
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
CID 66247166
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608925
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62615670
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62222040

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol (CID 64735879) is 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol is CCN(Cc1ccncc1)CC1C(C)CC(C)CC1O.
What is the InChIKey of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is PCHSTXRVHVXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-19(11-15-5-7-18-8-6-15)12-16-14(3)9-13(2)10-17(16)20/h5-8,13-14,16-17,20H,4,9-12H2,1-3H3.
What are the key properties of 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol?
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64735879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).