6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine

C13H23N3O — CID 63928133

IUPAC6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine
SMILESCOc1nc(NC(C)CCC(C)C)ccc1N
InChIInChI=1S/C13H23N3O/c1-9(2)5-6-10(3)15-12-8-7-11(14)13(16-12)17-4/h7-10H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyUIAFUTPEIGXCKC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.91
Rot. Bonds6

About 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine

6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine (PubChem CID 63928133) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine
PubChem CID63928133
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine
SMILESCOc1nc(NC(C)CCC(C)C)ccc1N
InChIInChI=1S/C13H23N3O/c1-9(2)5-6-10(3)15-12-8-7-11(14)13(16-12)17-4/h7-10H,5-6,14H2,1-4H3,(H,15,16)
InChIKeyUIAFUTPEIGXCKC-UHFFFAOYSA-N
XLogP2.91
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.91
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-(5-methylhexan-2-yl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine (CID 63928133) is 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine is COc1nc(NC(C)CCC(C)C)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine?
The InChIKey is UIAFUTPEIGXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)5-6-10(3)15-12-8-7-11(14)13(16-12)17-4/h7-10H,5-6,14H2,1-4H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine?
6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine has a molecular weight of 237.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(5-methylhexan-2-yl)pyridine-2,5-diamine is sourced from PubChem (CID 63928133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).