1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol

C14H21BrN2O — CID 113423565

IUPAC1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cncc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O/c1-2-11-3-5-14(18,6-4-11)10-17-13-7-12(15)8-16-9-13/h7-9,11,17-18H,2-6,10H2,1H3
InChIKeyCOTFWJASTVLXOW-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.59
Rot. Bonds4

About 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol

1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 113423565) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID113423565
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(CNc2cncc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O/c1-2-11-3-5-14(18,6-4-11)10-17-13-7-12(15)8-16-9-13/h7-9,11,17-18H,2-6,10H2,1H3
InChIKeyCOTFWJASTVLXOW-UHFFFAOYSA-N
XLogP3.59
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol with MolForge

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Related Compounds

1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
1-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 114869310
1-[(3-aminoanilino)methyl]-4-ethylcyclohexan-1-ol
CID 65116709
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]pyridin-3-amine
CID 107268827
4-ethyl-1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65120061
1-[[(6-chloro-2-methylpyrimidin-4-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 65121856
4-ethyl-1-[[(5-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65120298
4-ethyl-1-[(3-methyl-5-nitroanilino)methyl]cyclohexan-1-ol
CID 115981396
5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
CID 61120747
4-ethyl-1-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80930969
5-bromo-N-(3-ethylcyclobutyl)pyridin-3-amine
CID 130978854
1-[[(3-amino-5-methyl-2-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 66279334

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 113423565) is 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(CNc2cncc(Br)c2)CC1.
What is the InChIKey of 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is COTFWJASTVLXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-2-11-3-5-14(18,6-4-11)10-17-13-7-12(15)8-16-9-13/h7-9,11,17-18H,2-6,10H2,1H3.
What are the key properties of 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol?
1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-bromo-3-pyridinyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 113423565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).