(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine

C14H20N4 — CID 137446337

IUPAC(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine
SMILESC/C=N\N=C(C)\C(=C/N(C)C)c1ccc(C)nc1
InChIInChI=1S/C14H20N4/c1-6-16-17-12(3)14(10-18(4)5)13-8-7-11(2)15-9-13/h6-10H,1-5H3/b14-10+,16-6-,17-12+
InChIKeyFGQUHOJWSJGTGT-SSLWRJLCSA-N
MW244.34 g/mol
LogP2.76
Rot. Bonds4

About (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine

(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine (PubChem CID 137446337) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine
PubChem CID137446337
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine
SMILESC/C=N\N=C(C)\C(=C/N(C)C)c1ccc(C)nc1
InChIInChI=1S/C14H20N4/c1-6-16-17-12(3)14(10-18(4)5)13-8-7-11(2)15-9-13/h6-10H,1-5H3/b14-10+,16-6-,17-12+
InChIKeyFGQUHOJWSJGTGT-SSLWRJLCSA-N
XLogP2.76
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine?
The IUPAC name of (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine (CID 137446337) is (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine.
What is the SMILES notation for (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine?
The canonical SMILES for (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine is C/C=N\N=C(C)\C(=C/N(C)C)c1ccc(C)nc1.
What is the InChIKey of (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine?
The InChIKey is FGQUHOJWSJGTGT-SSLWRJLCSA-N. The full InChI is InChI=1S/C14H20N4/c1-6-16-17-12(3)14(10-18(4)5)13-8-7-11(2)15-9-13/h6-10H,1-5H3/b14-10+,16-6-,17-12+.
What are the key properties of (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine?
(Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-[(Z)-ethylidenehydrazinylidene]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)but-1-en-1-amine is sourced from PubChem (CID 137446337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).