N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine

C10H14N2 — CID 123352668

IUPACN-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
SMILESC=NC=c1c(CC)c[nH]c1=CC
InChIInChI=1S/C10H14N2/c1-4-8-6-12-10(5-2)9(8)7-11-3/h5-7,12H,3-4H2,1-2H3
InChIKeyLXXFYVSYJNGAMX-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.82
Rot. Bonds2

About N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine

N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine (PubChem CID 123352668) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine.

Molecular Properties

Compound NameN-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
PubChem CID123352668
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC NameN-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
SMILESC=NC=c1c(CC)c[nH]c1=CC
InChIInChI=1S/C10H14N2/c1-4-8-6-12-10(5-2)9(8)7-11-3/h5-7,12H,3-4H2,1-2H3
InChIKeyLXXFYVSYJNGAMX-UHFFFAOYSA-N
XLogP0.82
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-Dihydrotryptamine
CID 67559680
(2E,4Z)-6-fluoro-1-N-methyl-5-(methylideneamino)-2-propylhepta-2,4-diene-1,6-diamine
CID 156395033
(3Z)-3-[(E)-3,4-difluoro-2-methylpent-2-enylidene]-4-ethyl-2-methylidene-1H-pyrrole
CID 142834194
N-[(Z)-[(2E)-2-ethylidene-1H-pyrrol-3-ylidene]methyl]methanimine
CID 59893816
N-[(2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine
CID 72589881
3-methyl-5,6-dihydro-1H-pyrrolo[3,2-c]pyridine
CID 86340924
(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
CID 88538217
(1E)-3-methyl-2-[(Z)-(2-methylidene-1H-pyrrol-3-ylidene)methyl]buta-1,3-dien-1-amine
CID 88918032
2-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1H-pyrrol-3-yl]ethanamine
CID 89169791
(Z)-1-(3,4-dihydropyridin-5-yl)-N-methylprop-1-en-1-amine
CID 89491188
4-(4,5-dimethylidene-1H-pyrrol-3-yl)-1,2,3,6-tetrahydropyridine
CID 123832563
4-methyl-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
CID 123978975

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine?
The IUPAC name of N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine (CID 123352668) is N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine.
What is the SMILES notation for N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine?
The canonical SMILES for N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine is C=NC=c1c(CC)c[nH]c1=CC.
What is the InChIKey of N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine?
The InChIKey is LXXFYVSYJNGAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-8-6-12-10(5-2)9(8)7-11-3/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine?
N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine has a molecular weight of 162.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-ethylidene-1H-pyrrol-3-ylidene)methyl]methanimine is sourced from PubChem (CID 123352668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).