(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine

C12H19N3 — CID 126659319

IUPAC(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
SMILESC/C=C\NC1=NC=C(CCN)C/C1=C/C
InChIInChI=1S/C12H19N3/c1-3-7-14-12-11(4-2)8-10(5-6-13)9-15-12/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,15)/b7-3-,11-4-
InChIKeyZZAPGQPUMBERPZ-IPUVTVNQSA-N
MW205.31 g/mol
LogP2.09
Rot. Bonds3

About (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine

(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine (PubChem CID 126659319) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine.

Molecular Properties

Compound Name(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
PubChem CID126659319
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine
SMILESC/C=C\NC1=NC=C(CCN)C/C1=C/C
InChIInChI=1S/C12H19N3/c1-3-7-14-12-11(4-2)8-10(5-6-13)9-15-12/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,15)/b7-3-,11-4-
InChIKeyZZAPGQPUMBERPZ-IPUVTVNQSA-N
XLogP2.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine?
The IUPAC name of (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine (CID 126659319) is (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine.
What is the SMILES notation for (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine?
The canonical SMILES for (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine is C/C=C\NC1=NC=C(CCN)C/C1=C/C.
What is the InChIKey of (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine?
The InChIKey is ZZAPGQPUMBERPZ-IPUVTVNQSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-7-14-12-11(4-2)8-10(5-6-13)9-15-12/h3-4,7,9H,5-6,8,13H2,1-2H3,(H,14,15)/b7-3-,11-4-.
What are the key properties of (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine?
(3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(2-aminoethyl)-3-ethylidene-N-[(Z)-prop-1-enyl]-4H-pyridin-2-amine is sourced from PubChem (CID 126659319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).