methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine

C13H24N2 — CID 142886822

IUPACmethane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
SMILESC.C=C/C=C(\C=N\C)C1CCN(C)CC1
InChIInChI=1S/C12H20N2.CH4/c1-4-5-12(10-13-2)11-6-8-14(3)9-7-11;/h4-5,10-11H,1,6-9H2,2-3H3;1H4/b12-5+,13-10+;
InChIKeyVPFFRLSGCQIMFY-WMDDSLPESA-N
MW208.35 g/mol
LogP2.78
Rot. Bonds3

About methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine

methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine (PubChem CID 142886822) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Namemethane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
PubChem CID142886822
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Namemethane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
SMILESC.C=C/C=C(\C=N\C)C1CCN(C)CC1
InChIInChI=1S/C12H20N2.CH4/c1-4-5-12(10-13-2)11-6-8-14(3)9-7-11;/h4-5,10-11H,1,6-9H2,2-3H3;1H4/b12-5+,13-10+;
InChIKeyVPFFRLSGCQIMFY-WMDDSLPESA-N
XLogP2.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954513
(5E)-2-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-5-[(2Z)-penta-2,4-dienylidene]-4H-pyridine
CID 166954706
4-[(3E)-hexa-1,3-dien-3-yl]-1-methylpiperidine
CID 88585405
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
(2-ethyl-3,4,8,8a-tetrahydro-1H-isoquinolin-6-yl)methanimine
CID 89514112
(Z,4S,5Z)-5-ethylidene-N,N,4-trimethyl-8-methyliminooct-6-en-1-amine
CID 89839678
5-(1-Methylpyrrolidin-3-yl)-2,3-dihydropyridine
CID 90789433
1-Methyl-4-penta-1,3-dien-3-ylpiperidine
CID 123158822
4-Hexa-2,4-dien-3-yl-1-methylpiperidine
CID 123360017
1-Ethyl-4-penta-1,3-dien-3-ylpiperidine
CID 123529216
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993

Frequently Asked Questions

What is the IUPAC name of methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine?
The IUPAC name of methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine (CID 142886822) is methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine.
What is the SMILES notation for methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine?
The canonical SMILES for methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine is C.C=C/C=C(\C=N\C)C1CCN(C)CC1.
What is the InChIKey of methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine?
The InChIKey is VPFFRLSGCQIMFY-WMDDSLPESA-N. The full InChI is InChI=1S/C12H20N2.CH4/c1-4-5-12(10-13-2)11-6-8-14(3)9-7-11;/h4-5,10-11H,1,6-9H2,2-3H3;1H4/b12-5+,13-10+;.
What are the key properties of methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine?
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine has a molecular weight of 208.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine is sourced from PubChem (CID 142886822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).