(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide

C12H21N3 — CID 90988920

IUPAC(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide
SMILESC/C=C/C(=N/C(C)=C/C)/N=C(\C)N(C)C
InChIInChI=1S/C12H21N3/c1-7-9-12(13-10(3)8-2)14-11(4)15(5)6/h7-9H,1-6H3/b9-7+,10-8+,13-12-,14-11+
InChIKeyCFAZCEUSGFMXLG-RNPGARLRSA-N
MW207.32 g/mol
LogP2.86
Rot. Bonds2

About (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide

(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide (PubChem CID 90988920) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide
PubChem CID90988920
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide
SMILESC/C=C/C(=N/C(C)=C/C)/N=C(\C)N(C)C
InChIInChI=1S/C12H21N3/c1-7-9-12(13-10(3)8-2)14-11(4)15(5)6/h7-9H,1-6H3/b9-7+,10-8+,13-12-,14-11+
InChIKeyCFAZCEUSGFMXLG-RNPGARLRSA-N
XLogP2.86
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Diethyl-(1-methyl-5-methylidenepyrrol-2-ylidene)azanium
CID 23558529
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
(E)-3-(dimethylamino)-N-methyl-N,N'-bis(2-methylpropyl)but-2-enimidamide
CID 121313174
N'-[(2E)-4-[1-(dimethylamino)ethylideneamino]penta-2,4-dien-2-yl]-N,N-dimethylethanimidamide
CID 123219770
N-ethyl-N'-methyl-N-penta-1,3-dien-2-ylethanimidamide
CID 123888014
N,3,6-trimethylpyrimidin-4-imine
CID 132111576
(2Z)-N,N-dimethyl-N'-prop-1-en-2-ylpenta-2,4-dienimidamide
CID 132216814
N-ethenyl-N'-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 134286579
(2Z)-N,N-dimethyl-N'-[(E)-prop-1-enyl]penta-2,4-dienimidamide
CID 137457996
N-buta-1,3-dien-2-yl-N-ethyl-N'-methylethanimidamide
CID 141951042
N,N-bis(ethenyl)-N'-methylprop-2-enimidamide;ethane
CID 142516512
1,2-bis(ethenyl)-4H-pyrimidine;ethane
CID 143195789

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide?
The IUPAC name of (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide (CID 90988920) is (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide.
What is the SMILES notation for (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide?
The canonical SMILES for (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide is C/C=C/C(=N/C(C)=C/C)/N=C(\C)N(C)C.
What is the InChIKey of (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide?
The InChIKey is CFAZCEUSGFMXLG-RNPGARLRSA-N. The full InChI is InChI=1S/C12H21N3/c1-7-9-12(13-10(3)8-2)14-11(4)15(5)6/h7-9H,1-6H3/b9-7+,10-8+,13-12-,14-11+.
What are the key properties of (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide?
(E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(E)-but-2-en-2-yl]-N-[1-(dimethylamino)ethylidene]but-2-enimidamide is sourced from PubChem (CID 90988920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).