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

C15H27N5 — CID 143217143

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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Related Compounds

N-piperidin-4-yl-1,2-dihydropyrazin-5-amine
CID 89149707
Ethane;2-[1-[1-(methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
CID 143219843
2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 152687444
6-N,2-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898680
2-butyl-6-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898681
2-methyl-2-N-piperidin-4-yl-6-N,6-N-dipropyl-1H-pyrimidine-2,6-diamine
CID 153898683
2-ethyl-6-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898684
2-methyl-2-N-piperidin-4-yl-6-N-propan-2-yl-1H-pyrimidine-2,6-diamine
CID 153898688
1-(1,2-Dihydropyrazin-6-yl)piperidin-4-amine
CID 173378738
(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine
CID 143217144
2-[1-[1-(Methylamino)ethenyl]piperidin-4-yl]-1-methylideneguanidine
CID 143219844
1-[(2Z)-2-[(Z)-1-aminoprop-1-enyl]iminoethyl]-N,N-dimethylpiperidin-4-amine
CID 143829598

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).