(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine

C13H21N5 — CID 143217144

IUPAC(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine
SMILESC=NC1=C(/N=C\C)NC(=C)N1C1CCN(C)CC1
InChIInChI=1S/C13H21N5/c1-5-15-12-13(14-3)18(10(2)16-12)11-6-8-17(4)9-7-11/h5,11,16H,2-3,6-9H2,1,4H3/b15-5-
InChIKeyAZBNGJBBJHXYCW-WCSRMQSCSA-N
MW247.35 g/mol
LogP1.37
Rot. Bonds3

About (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine

(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine (PubChem CID 143217144) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine
PubChem CID143217144
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine
SMILESC=NC1=C(/N=C\C)NC(=C)N1C1CCN(C)CC1
InChIInChI=1S/C13H21N5/c1-5-15-12-13(14-3)18(10(2)16-12)11-6-8-17(4)9-7-11/h5,11,16H,2-3,6-9H2,1,4H3/b15-5-
InChIKeyAZBNGJBBJHXYCW-WCSRMQSCSA-N
XLogP1.37
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
The IUPAC name of (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine (CID 143217144) is (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine.
What is the SMILES notation for (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
The canonical SMILES for (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine is C=NC1=C(/N=C\C)NC(=C)N1C1CCN(C)CC1.
What is the InChIKey of (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
The InChIKey is AZBNGJBBJHXYCW-WCSRMQSCSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-15-12-13(14-3)18(10(2)16-12)11-6-8-17(4)9-7-11/h5,11,16H,2-3,6-9H2,1,4H3/b15-5-.
What are the key properties of (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine has a molecular weight of 247.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine is sourced from PubChem (CID 143217144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).