3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine

C11H19N3O — CID 104767059

IUPAC3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCOC(C)C)c1
InChIInChI=1S/C11H19N3O/c1-9(2)15-5-4-14-11-6-10(12-3)7-13-8-11/h6-9,12,14H,4-5H2,1-3H3
InChIKeyDBZKDVZIOIZDOD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds6

About 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine

3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine (PubChem CID 104767059) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
PubChem CID104767059
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine
SMILESCNc1cncc(NCCOC(C)C)c1
InChIInChI=1S/C11H19N3O/c1-9(2)15-5-4-14-11-6-10(12-3)7-13-8-11/h6-9,12,14H,4-5H2,1-3H3
InChIKeyDBZKDVZIOIZDOD-UHFFFAOYSA-N
XLogP1.96
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
2-[[5-(methylamino)-3-pyridinyl]amino]ethyl carbamate
CID 104535709
2-[[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104532515
5-[[5-(methylamino)-3-pyridinyl]amino]pentan-2-ol
CID 106138149
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)aniline
CID 62809594
3-N-methyl-5-N-(2-methylsulfonylethyl)pyridine-3,5-diamine
CID 104533155
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546
4-[[5-(methylamino)-3-pyridinyl]amino]butan-1-ol
CID 106846876
N-[2-[[5-(methylamino)-3-pyridinyl]amino]ethyl]methanesulfonamide
CID 104532982
N-butan-2-yl-3-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 113423927
ethyl 3-[[5-(methylamino)-3-pyridinyl]amino]propanoate
CID 104534061
4-bromo-3,5-dimethyl-N-(2-propan-2-yloxyethyl)aniline
CID 107573538

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine (CID 104767059) is 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine is CNc1cncc(NCCOC(C)C)c1.
What is the InChIKey of 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine?
The InChIKey is DBZKDVZIOIZDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)15-5-4-14-11-6-10(12-3)7-13-8-11/h6-9,12,14H,4-5H2,1-3H3.
What are the key properties of 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine?
3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine has a molecular weight of 209.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-(2-propan-2-yloxyethyl)pyridine-3,5-diamine is sourced from PubChem (CID 104767059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).