3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine

C12H19N3 — CID 169112998

IUPAC3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine
SMILESCC/C=C(/C)Nc1cnc(N)c(CC)c1
InChIInChI=1S/C12H19N3/c1-4-6-9(3)15-11-7-10(5-2)12(13)14-8-11/h6-8,15H,4-5H2,1-3H3,(H2,13,14)/b9-6-
InChIKeyCISIHYSTAAUOMS-TWGQIWQCSA-N
MW205.30 g/mol
LogP2.95
Rot. Bonds4

About 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine

3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine (PubChem CID 169112998) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine
PubChem CID169112998
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine
SMILESCC/C=C(/C)Nc1cnc(N)c(CC)c1
InChIInChI=1S/C12H19N3/c1-4-6-9(3)15-11-7-10(5-2)12(13)14-8-11/h6-8,15H,4-5H2,1-3H3,(H2,13,14)/b9-6-
InChIKeyCISIHYSTAAUOMS-TWGQIWQCSA-N
XLogP2.95
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine?
The IUPAC name of 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine (CID 169112998) is 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine is CC/C=C(/C)Nc1cnc(N)c(CC)c1.
What is the InChIKey of 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine?
The InChIKey is CISIHYSTAAUOMS-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H19N3/c1-4-6-9(3)15-11-7-10(5-2)12(13)14-8-11/h6-8,15H,4-5H2,1-3H3,(H2,13,14)/b9-6-.
What are the key properties of 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine?
3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine has a molecular weight of 205.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-[(Z)-pent-2-en-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 169112998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).