5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine

C13H21N3 — CID 104532953

IUPAC5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(C)C2CC2)c1
InChIInChI=1S/C13H21N3/c1-3-6-15-12-7-13(9-14-8-12)16-10(2)11-4-5-11/h7-11,15-16H,3-6H2,1-2H3
InChIKeyREIPEFPQWFZWTK-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.11
Rot. Bonds6

About 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine

5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104532953) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104532953
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(C)C2CC2)c1
InChIInChI=1S/C13H21N3/c1-3-6-15-12-7-13(9-14-8-12)16-10(2)11-4-5-11/h7-11,15-16H,3-6H2,1-2H3
InChIKeyREIPEFPQWFZWTK-UHFFFAOYSA-N
XLogP3.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104534762
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
N-(1-cyclobutylethyl)-5-fluoropyridin-3-amine
CID 126987329
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533327
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 113424095
N-(1-cyclopentylethyl)-5-methylpyridin-3-amine
CID 115922263
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
N-(2-methylpropyl)-2-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535813
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
5-N-(2,6-dimethylpiperidin-1-yl)-3-N-propylpyridine-3,5-diamine
CID 104535636

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine (CID 104532953) is 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NC(C)C2CC2)c1.
What is the InChIKey of 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is REIPEFPQWFZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-6-15-12-7-13(9-14-8-12)16-10(2)11-4-5-11/h7-11,15-16H,3-6H2,1-2H3.
What are the key properties of 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine?
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 219.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104532953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).