1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine

C15H23BrN2O — CID 64730620

IUPAC1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OC1CC(C)CC(C)C1
InChIInChI=1S/C15H23BrN2O/c1-10-4-11(2)6-14(5-10)19-15-12(8-17-3)7-13(16)9-18-15/h7,9-11,14,17H,4-6,8H2,1-3H3
InChIKeyIKUNBMHDPSGVGH-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.77
Rot. Bonds4

About 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine (PubChem CID 64730620) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
PubChem CID64730620
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1OC1CC(C)CC(C)C1
InChIInChI=1S/C15H23BrN2O/c1-10-4-11(2)6-14(5-10)19-15-12(8-17-3)7-13(16)9-18-15/h7,9-11,14,17H,4-6,8H2,1-3H3
InChIKeyIKUNBMHDPSGVGH-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine (CID 64730620) is 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1OC1CC(C)CC(C)C1.
What is the InChIKey of 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
The InChIKey is IKUNBMHDPSGVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-10-4-11(2)6-14(5-10)19-15-12(8-17-3)7-13(16)9-18-15/h7,9-11,14,17H,4-6,8H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine has a molecular weight of 327.27 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3,5-dimethylcyclohexyl)oxy-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 64730620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).