(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine

C12H19N3 — CID 143291579

IUPAC(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine
SMILES[H]/N=C/c1c(CC)c(=C/C)/c(=C\NC)n1C
InChIInChI=1S/C12H19N3/c1-5-9-10(6-2)12(8-14-3)15(4)11(9)7-13/h6-8,13-14H,5H2,1-4H3/b10-6-,12-8+,13-7+
InChIKeyFZPUMDBMNSVTNW-JUIXWPTESA-N
MW205.31 g/mol
LogP0.34
Rot. Bonds3

About (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine

(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine (PubChem CID 143291579) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine.

Molecular Properties

Compound Name(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine
PubChem CID143291579
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine
SMILES[H]/N=C/c1c(CC)c(=C/C)/c(=C\NC)n1C
InChIInChI=1S/C12H19N3/c1-5-9-10(6-2)12(8-14-3)15(4)11(9)7-13/h6-8,13-14H,5H2,1-4H3/b10-6-,12-8+,13-7+
InChIKeyFZPUMDBMNSVTNW-JUIXWPTESA-N
XLogP0.34
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[[(4Z)-4-[(Z)-3-aminoprop-2-enylidene]-5-methylidene-1H-pyrrol-3-yl]methyl]-3-iminoprop-1-en-1-amine
CID 89270681
N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 123352668
Dimethyl-[5-methyl-4-(methylamino)-3-propylhepta-2,4-dienylidene]azanium
CID 123427394
(1E)-N,N-dimethyl-1-(2-methylidene-1H-pyrrol-3-ylidene)hept-5-en-1-amine
CID 134322042
ethane;(4-ethenyl-2,3-dihydro-1H-pyrrol-5-yl)methanimine
CID 142955167
(Z)-2-(2-ethyl-1,7-dihydropyrrolo[2,3-d]azepin-3-yl)-N-methylethenamine
CID 143295815
N-[(Z,3Z)-3-[5-(4-methylpent-4-enyl)-1,2-dihydropyrrol-3-ylidene]prop-1-enyl]methanimine
CID 143620509
(E)-3-N-cyclopropyl-2-[(Z)-1-iminopent-2-en-2-yl]-1-N,3-N-dimethylbut-1-ene-1,3-diamine
CID 144588383
[(4Z)-2-ethenyl-4-ethylidene-1-methyl-5-methylidenepyrrol-3-yl]methanimine
CID 155583866
2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine
CID 167138528
(Z)-N-[[4-(methyliminomethyl)cyclopenta-1,3-dien-1-yl]methyl]-N-prop-1-en-2-ylprop-1-en-1-amine
CID 169987187
[6-[(Z)-but-2-en-2-yl]-1-methyl-3,4-dihydro-2H-pyridin-5-yl]methanimine
CID 170069853

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine?
The IUPAC name of (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine (CID 143291579) is (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine.
What is the SMILES notation for (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine?
The canonical SMILES for (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine is [H]/N=C/c1c(CC)c(=C/C)/c(=C\NC)n1C.
What is the InChIKey of (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine?
The InChIKey is FZPUMDBMNSVTNW-JUIXWPTESA-N. The full InChI is InChI=1S/C12H19N3/c1-5-9-10(6-2)12(8-14-3)15(4)11(9)7-13/h6-8,13-14H,5H2,1-4H3/b10-6-,12-8+,13-7+.
What are the key properties of (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine?
(1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine has a molecular weight of 205.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(3Z)-4-ethyl-3-ethylidene-5-methanimidoyl-1-methylpyrrol-2-ylidene]-N-methylmethanamine is sourced from PubChem (CID 143291579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).