6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine

C13H21N3O — CID 55259668

IUPAC6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
SMILESCOc1nc(NCC2(C)CCCC2)ccc1N
InChIInChI=1S/C13H21N3O/c1-13(7-3-4-8-13)9-15-11-6-5-10(14)12(16-11)17-2/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyGUBHIUMIYSOKQV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.66
Rot. Bonds4

About 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine

6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine (PubChem CID 55259668) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
PubChem CID55259668
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
SMILESCOc1nc(NCC2(C)CCCC2)ccc1N
InChIInChI=1S/C13H21N3O/c1-13(7-3-4-8-13)9-15-11-6-5-10(14)12(16-11)17-2/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16)
InChIKeyGUBHIUMIYSOKQV-UHFFFAOYSA-N
XLogP2.66
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine (CID 55259668) is 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine is COc1nc(NCC2(C)CCCC2)ccc1N.
What is the InChIKey of 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine?
The InChIKey is GUBHIUMIYSOKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(7-3-4-8-13)9-15-11-6-5-10(14)12(16-11)17-2/h5-6H,3-4,7-9,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine?
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 55259668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).