N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide

C13H24N4 — CID 123219770

IUPACN'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
SMILESC=C(/C=C(C)/N=C(\C)N(C)C)/N=C(\C)N(C)C
InChIInChI=1S/C13H24N4/c1-10(14-12(3)16(5)6)9-11(2)15-13(4)17(7)8/h9H,1H2,2-8H3/b11-9+,14-12+,15-13+
InChIKeyXZCQXUVMPUCBJJ-NLCRFJRRSA-N
MW236.36 g/mol
LogP2.36
Rot. Bonds3

About N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide

N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide (PubChem CID 123219770) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
PubChem CID123219770
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
SMILESC=C(/C=C(C)/N=C(\C)N(C)C)/N=C(\C)N(C)C
InChIInChI=1S/C13H24N4/c1-10(14-12(3)16(5)6)9-11(2)15-13(4)17(7)8/h9H,1H2,2-8H3/b11-9+,14-12+,15-13+
InChIKeyXZCQXUVMPUCBJJ-NLCRFJRRSA-N
XLogP2.36
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
CID 23558529
1,4-Dimethyl-6-methylidene-2-propylpyrimidine
CID 89659145
(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide
CID 90988920
N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide
CID 123888014
N'-[N'-[(E)-but-2-en-2-yl]-N,N-dimethylcarbamimidoyl]-N,N-dimethylpropanimidamide
CID 123977289
(2Z)-N,N-dimethyl-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 132216814
ethane;N-ethenyl-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N'-methylethanimidamide
CID 141921665
(5E)-1,2-dimethyl-4-methylidene-5-prop-2-enylideneimidazole;ethane
CID 142961637
(5Z,7Z)-1,2-dimethyl-9-methylidene-4H-1,3-diazonine;ethane
CID 143250320
N,1-diethyl-6-methylpyridin-2-imine;ethane
CID 143611261
N,1-diethyl-6-methylpyridin-2-imine
CID 143611262

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide (CID 123219770) is N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide is C=C(/C=C(C)/N=C(\C)N(C)C)/N=C(\C)N(C)C.
What is the InChIKey of N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide?
The InChIKey is XZCQXUVMPUCBJJ-NLCRFJRRSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(14-12(3)16(5)6)9-11(2)15-13(4)17(7)8/h9H,1H2,2-8H3/b11-9+,14-12+,15-13+.
What are the key properties of N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide?
N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide has a molecular weight of 236.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 123219770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).