(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine

C11H17N3 — CID 167170111

IUPAC(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine
SMILESC=C(CC)C1=CN(N)/C(=C(/C)N)C=C1
InChIInChI=1S/C11H17N3/c1-4-8(2)10-5-6-11(9(3)12)14(13)7-10/h5-7H,2,4,12-13H2,1,3H3/b11-9-
InChIKeyCZGNIVQAAQJDBA-LUAWRHEFSA-N
MW191.28 g/mol
LogP1.77
Rot. Bonds2

About (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine

(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine (PubChem CID 167170111) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine.

Molecular Properties

Compound Name(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine
PubChem CID167170111
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine
SMILESC=C(CC)C1=CN(N)/C(=C(/C)N)C=C1
InChIInChI=1S/C11H17N3/c1-4-8(2)10-5-6-11(9(3)12)14(13)7-10/h5-7H,2,4,12-13H2,1,3H3/b11-9-
InChIKeyCZGNIVQAAQJDBA-LUAWRHEFSA-N
XLogP1.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine?
The IUPAC name of (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine (CID 167170111) is (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine.
What is the SMILES notation for (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine?
The canonical SMILES for (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine is C=C(CC)C1=CN(N)/C(=C(/C)N)C=C1.
What is the InChIKey of (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine?
The InChIKey is CZGNIVQAAQJDBA-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-8(2)10-5-6-11(9(3)12)14(13)7-10/h5-7H,2,4,12-13H2,1,3H3/b11-9-.
What are the key properties of (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine?
(2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-aminoethylidene)-5-but-1-en-2-ylpyridin-1-amine is sourced from PubChem (CID 167170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).