N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide

C18H25N3 — CID 123806707

IUPACN'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide
SMILESC=C/N=C/N(C)C(C)C(=C)/C=N/C(=C)C1CC=CC=C1C
InChIInChI=1S/C18H25N3/c1-7-19-13-21(6)17(5)15(3)12-20-16(4)18-11-9-8-10-14(18)2/h7-10,12-13,17-18H,1,3-4,11H2,2,5-6H3/b19-13+,20-12+
InChIKeyQSOMXFXIVWNWID-JUARGUKUSA-N
MW283.42 g/mol
LogP4.14
Rot. Bonds7

About N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide

N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide (PubChem CID 123806707) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide
PubChem CID123806707
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide
SMILESC=C/N=C/N(C)C(C)C(=C)/C=N/C(=C)C1CC=CC=C1C
InChIInChI=1S/C18H25N3/c1-7-19-13-21(6)17(5)15(3)12-20-16(4)18-11-9-8-10-14(18)2/h7-10,12-13,17-18H,1,3-4,11H2,2,5-6H3/b19-13+,20-12+
InChIKeyQSOMXFXIVWNWID-JUARGUKUSA-N
XLogP4.14
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.14
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'}

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Related Compounds

N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
CID 91598723
N-(2-ethylidene-5-methylhexa-3,5-dienyl)-7,10-dimethyl-8,9-dihydro-7H-pyrazino[1,2-a]azepin-6-imine
CID 123841838
(3Z)-N-ethyl-1-(2-methylcyclopentyl)-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine
CID 156349479
N-[(E)-2-cyclobutylprop-1-enyl]-4-methyl-3,6-dimethylidene-5-prop-1-en-2-yl-1-propylpyridin-2-imine
CID 169584376
N'-methyl-N-[(4S)-3-methyl-3,4-dihydropyridin-4-yl]-N-[(2E,4Z,6Z)-4-methylocta-2,4,6-trien-2-yl]methanimidamide
CID 173860550
N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine
CID 164767453

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide?
The IUPAC name of N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide (CID 123806707) is N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide.
What is the SMILES notation for N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide?
The canonical SMILES for N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide is C=C/N=C/N(C)C(C)C(=C)/C=N/C(=C)C1CC=CC=C1C.
What is the InChIKey of N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide?
The InChIKey is QSOMXFXIVWNWID-JUARGUKUSA-N. The full InChI is InChI=1S/C18H25N3/c1-7-19-13-21(6)17(5)15(3)12-20-16(4)18-11-9-8-10-14(18)2/h7-10,12-13,17-18H,1,3-4,11H2,2,5-6H3/b19-13+,20-12+.
What are the key properties of N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide?
N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide has a molecular weight of 283.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide is sourced from PubChem (CID 123806707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).