5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine

C11H19N3O — CID 104533936

IUPAC5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
SMILESCCOCC(C)Nc1cncc(NC)c1
InChIInChI=1S/C11H19N3O/c1-4-15-8-9(2)14-11-5-10(12-3)6-13-7-11/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyVFUUKFBUHXXYBE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds6

About 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine

5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine (PubChem CID 104533936) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
PubChem CID104533936
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine
SMILESCCOCC(C)Nc1cncc(NC)c1
InChIInChI=1S/C11H19N3O/c1-4-15-8-9(2)14-11-5-10(12-3)6-13-7-11/h5-7,9,12,14H,4,8H2,1-3H3
InChIKeyVFUUKFBUHXXYBE-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

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Related Compounds

5-N-(1-ethoxypropan-2-yl)pyridine-3,5-diamine
CID 104533935
5-N-[1-(dimethylamino)propan-2-yl]-3-N-methylpyridine-3,5-diamine
CID 104535616
N-(1-ethoxypropan-2-yl)quinolin-3-amine
CID 104695232
3-N-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyridine-3,5-diamine
CID 104534914
5-N-(2-ethoxyethyl)-3-N-methylpyridine-3,5-diamine
CID 104533068
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857
6-ethoxy-N-(1-ethoxypropan-2-yl)pyridin-3-amine
CID 115922413
N-(1-ethoxypropan-2-yl)-6-methylsulfanylpyridin-3-amine
CID 115929463
N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 104533495
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
CID 115917084
N-(1-ethoxypropan-2-yl)-5-methylpyridazin-3-amine
CID 106549675
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine (CID 104533936) is 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine is CCOCC(C)Nc1cncc(NC)c1.
What is the InChIKey of 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is VFUUKFBUHXXYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-15-8-9(2)14-11-5-10(12-3)6-13-7-11/h5-7,9,12,14H,4,8H2,1-3H3.
What are the key properties of 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine?
5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-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 5-N-(1-ethoxypropan-2-yl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 104533936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).