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

C15H27N5 — CID 143217143

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;(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.CC
InChIInChI=1S/C13H21N5.C2H6/c1-5-15-12-13(14-3)18(10(2)16-12)11-6-8-17(4)9-7-11;1-2/h5,11,16H,2-3,6-9H2,1,4H3;1-2H3/b15-5-;
InChIKeyLOTHFZVKFKGGDX-PZTRBQFESA-N
MW277.42 g/mol
LogP2.40
Rot. Bonds3

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

Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine (PubChem CID 143217143) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine.

Molecular Properties

Compound NameEthane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine
PubChem CID143217143
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Nameethane;(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.CC
InChIInChI=1S/C13H21N5.C2H6/c1-5-15-12-13(14-3)18(10(2)16-12)11-6-8-17(4)9-7-11;1-2/h5,11,16H,2-3,6-9H2,1,4H3;1-2H3/b15-5-;
InChIKeyLOTHFZVKFKGGDX-PZTRBQFESA-N
XLogP2.40
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.40
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 Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
The IUPAC name of Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine (CID 143217143) is ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine.
What is the SMILES notation for Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
The canonical SMILES for Ethane;(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.CC.
What is the InChIKey of Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
The InChIKey is LOTHFZVKFKGGDX-PZTRBQFESA-N. The full InChI is InChI=1S/C13H21N5.C2H6/c1-5-15-12-13(14-3)18(10(2)16-12)11-6-8-17(4)9-7-11;1-2/h5,11,16H,2-3,6-9H2,1,4H3;1-2H3/b15-5-;.
What are the key properties of Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine?
Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine has a molecular weight of 277.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine is sourced from PubChem (CID 143217143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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