(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine

C16H25N3 — CID 166969739

IUPAC(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine
SMILESC=NC1=C(N(C)CC(C)C)/C(=C/C=C\CC)CN=C1
InChIInChI=1S/C16H25N3/c1-6-7-8-9-14-10-18-11-15(17-4)16(14)19(5)12-13(2)3/h7-9,11,13H,4,6,10,12H2,1-3,5H3/b8-7-,14-9+
InChIKeyPSVSBASQNIUZIS-JEHBAHQJSA-N
MW259.40 g/mol
LogP3.46
Rot. Bonds6

About (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine

(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine (PubChem CID 166969739) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine.

Molecular Properties

Compound Name(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine
PubChem CID166969739
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine
SMILESC=NC1=C(N(C)CC(C)C)/C(=C/C=C\CC)CN=C1
InChIInChI=1S/C16H25N3/c1-6-7-8-9-14-10-18-11-15(17-4)16(14)19(5)12-13(2)3/h7-9,11,13H,4,6,10,12H2,1-3,5H3/b8-7-,14-9+
InChIKeyPSVSBASQNIUZIS-JEHBAHQJSA-N
XLogP3.46
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine?
The IUPAC name of (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine (CID 166969739) is (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine.
What is the SMILES notation for (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine?
The canonical SMILES for (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine is C=NC1=C(N(C)CC(C)C)/C(=C/C=C\CC)CN=C1.
What is the InChIKey of (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine?
The InChIKey is PSVSBASQNIUZIS-JEHBAHQJSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-7-8-9-14-10-18-11-15(17-4)16(14)19(5)12-13(2)3/h7-9,11,13H,4,6,10,12H2,1-3,5H3/b8-7-,14-9+.
What are the key properties of (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine?
(3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine has a molecular weight of 259.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-5-(methylideneamino)-N-(2-methylpropyl)-3-[(Z)-pent-2-enylidene]-2H-pyridin-4-amine is sourced from PubChem (CID 166969739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).