3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine

C9H13N3O — CID 162530862

IUPAC3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
SMILESCC1(Nc2cnccc2N)COC1
InChIInChI=1S/C9H13N3O/c1-9(5-13-6-9)12-8-4-11-3-2-7(8)10/h2-4,12H,5-6H2,1H3,(H2,10,11)
InChIKeyXDKFPOAFSIEYCN-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.86
Rot. Bonds2

About 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine

3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine (PubChem CID 162530862) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
PubChem CID162530862
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
SMILESCC1(Nc2cnccc2N)COC1
InChIInChI=1S/C9H13N3O/c1-9(5-13-6-9)12-8-4-11-3-2-7(8)10/h2-4,12H,5-6H2,1H3,(H2,10,11)
InChIKeyXDKFPOAFSIEYCN-UHFFFAOYSA-N
XLogP0.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
CID 170040672
4-[(3-methyloxetan-3-yl)amino]pyridine-3-carboxamide
CID 154029220
3-(2-methylhydrazinyl)pyridin-4-amine
CID 123266008
N-(4-amino-3-pyridinyl)acetamide
CID 11593462
3-N-(4-methylphenyl)pyridine-3,4-diamine
CID 13441291
N-(4-amino-3-pyridinyl)formamide
CID 174896964
3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 114114566
6-chloro-N-(3-methyloxetan-3-yl)pyridin-3-amine
CID 172624233
3-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13441292
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-amine;hydrochloride
CID 166640266
3-hydrazinyl-N-(4-methyloxan-4-yl)pyridine-4-carboxamide
CID 105072489
3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine
CID 114624107

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
The IUPAC name of 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine (CID 162530862) is 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine.
What is the SMILES notation for 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
The canonical SMILES for 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine is CC1(Nc2cnccc2N)COC1.
What is the InChIKey of 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
The InChIKey is XDKFPOAFSIEYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-9(5-13-6-9)12-8-4-11-3-2-7(8)10/h2-4,12H,5-6H2,1H3,(H2,10,11).
What are the key properties of 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine has a molecular weight of 179.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine is sourced from PubChem (CID 162530862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).