2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine

C13H21N3O — CID 114118689

IUPAC2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
SMILESCOC1CC(Nc2ncc(C)cc2N)C1(C)C
InChIInChI=1S/C13H21N3O/c1-8-5-9(14)12(15-7-8)16-10-6-11(17-4)13(10,2)3/h5,7,10-11H,6,14H2,1-4H3,(H,15,16)
InChIKeyYCXNICMEPILWIK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds3

About 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine

2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine (PubChem CID 114118689) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
PubChem CID114118689
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine
SMILESCOC1CC(Nc2ncc(C)cc2N)C1(C)C
InChIInChI=1S/C13H21N3O/c1-8-5-9(14)12(15-7-8)16-10-6-11(17-4)13(10,2)3/h5,7,10-11H,6,14H2,1-4H3,(H,15,16)
InChIKeyYCXNICMEPILWIK-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine (CID 114118689) is 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine is COC1CC(Nc2ncc(C)cc2N)C1(C)C.
What is the InChIKey of 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine?
The InChIKey is YCXNICMEPILWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-5-9(14)12(15-7-8)16-10-6-11(17-4)13(10,2)3/h5,7,10-11H,6,14H2,1-4H3,(H,15,16).
What are the key properties of 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine?
2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine has a molecular weight of 235.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 114118689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).