1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol

C15H23BrN2O — CID 114869310

IUPAC1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-12-4-6-15(19,7-5-12)10-18-14-8-11(2)13(16)9-17-14/h8-9,12,19H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyJPGLNUIWFFNHQF-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.90
Rot. Bonds4

About 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 114869310) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID114869310
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cc(C)c(Br)cn2)CC1
InChIInChI=1S/C15H23BrN2O/c1-3-12-4-6-15(19,7-5-12)10-18-14-8-11(2)13(16)9-17-14/h8-9,12,19H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyJPGLNUIWFFNHQF-UHFFFAOYSA-N
XLogP3.90
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79165262
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
4-ethyl-1-[[(6-methoxypyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 66327648
1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 113423565
1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80930969
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334
4-ethyl-1-[[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827870
1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 80843018
5-bromo-4-methyl-N-[(1-methylcyclopentyl)methyl]pyridin-2-amine
CID 114869282
4-ethyl-1-[[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80827960

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 114869310) is 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cc(C)c(Br)cn2)CC1.
What is the InChIKey of 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is JPGLNUIWFFNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-3-12-4-6-15(19,7-5-12)10-18-14-8-11(2)13(16)9-17-14/h8-9,12,19H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 114869310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).