3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine

C10H17N3 — CID 143715589

IUPAC3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine
SMILESCCNc1cc(C(C)C)cnc1N
InChIInChI=1S/C10H17N3/c1-4-12-9-5-8(7(2)3)6-13-10(9)11/h5-7,12H,4H2,1-3H3,(H2,11,13)
InChIKeyYCSVTVSTNTUKNQ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.22
Rot. Bonds3

About 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine

3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine (PubChem CID 143715589) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine
PubChem CID143715589
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine
SMILESCCNc1cc(C(C)C)cnc1N
InChIInChI=1S/C10H17N3/c1-4-12-9-5-8(7(2)3)6-13-10(9)11/h5-7,12H,4H2,1-3H3,(H2,11,13)
InChIKeyYCSVTVSTNTUKNQ-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine?
The IUPAC name of 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine (CID 143715589) is 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine?
The canonical SMILES for 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine is CCNc1cc(C(C)C)cnc1N.
What is the InChIKey of 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine?
The InChIKey is YCSVTVSTNTUKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-12-9-5-8(7(2)3)6-13-10(9)11/h5-7,12H,4H2,1-3H3,(H2,11,13).
What are the key properties of 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine?
3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine has a molecular weight of 179.27 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-propan-2-ylpyridine-2,3-diamine is sourced from PubChem (CID 143715589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).