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

C10H15N3O — CID 170040672

IUPAC4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
SMILESCNc1ccncc1NC1(C)COC1
InChIInChI=1S/C10H15N3O/c1-10(6-14-7-10)13-9-5-12-4-3-8(9)11-2/h3-5,13H,6-7H2,1-2H3,(H,11,12)
InChIKeySVQWFMHUNAVXDO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.32
Rot. Bonds3

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

4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine (PubChem CID 170040672) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
PubChem CID170040672
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine
SMILESCNc1ccncc1NC1(C)COC1
InChIInChI=1S/C10H15N3O/c1-10(6-14-7-10)13-9-5-12-4-3-8(9)11-2/h3-5,13H,6-7H2,1-2H3,(H,11,12)
InChIKeySVQWFMHUNAVXDO-UHFFFAOYSA-N
XLogP1.32
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine (CID 170040672) is 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine is CNc1ccncc1NC1(C)COC1.
What is the InChIKey of 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
The InChIKey is SVQWFMHUNAVXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(6-14-7-10)13-9-5-12-4-3-8(9)11-2/h3-5,13H,6-7H2,1-2H3,(H,11,12).
What are the key properties of 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine?
4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine has a molecular weight of 193.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-3-N-(3-methyloxetan-3-yl)pyridine-3,4-diamine is sourced from PubChem (CID 170040672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).