4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C15H23N3O3 — CID 79165262

IUPAC4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-12-4-6-15(19,7-5-12)10-17-14-8-11(2)13(9-16-14)18(20)21/h8-9,12,19H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyZSKCQPYXFDNOJT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.04
Rot. Bonds5

About 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 79165262) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID79165262
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(C)c([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-12-4-6-15(19,7-5-12)10-17-14-8-11(2)13(9-16-14)18(20)21/h8-9,12,19H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyZSKCQPYXFDNOJT-UHFFFAOYSA-N
XLogP3.04
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310
4-methyl-5-nitro-N-[(1-propylcyclopropyl)methyl]pyridin-2-amine
CID 103761740
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
4-methyl-5-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 79176132
4-ethyl-1-[(3-methyl-5-nitroanilino)methyl]cyclohexan-1-ol
CID 115981396
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 103989953
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106102152
N-[2-(1-ethylpiperidin-4-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133340478
4-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 115669034

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 79165262) is 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNc2cc(C)c([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZSKCQPYXFDNOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-12-4-6-15(19,7-5-12)10-17-14-8-11(2)13(9-16-14)18(20)21/h8-9,12,19H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79165262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).