N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine

C15H19N — CID 123311258

IUPACN,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine
SMILESC=C(C(C)=C(C)C)/C(=N\C)c1ccccc1
InChIInChI=1S/C15H19N/c1-11(2)12(3)13(4)15(16-5)14-9-7-6-8-10-14/h6-10H,4H2,1-3,5H3/b16-15+
InChIKeyIVJJMLMIIISQCS-FOCLMDBBSA-N
MW213.32 g/mol
LogP4.02
Rot. Bonds3

About N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine

N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine (PubChem CID 123311258) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine.

Molecular Properties

Compound NameN,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine
PubChem CID123311258
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine
SMILESC=C(C(C)=C(C)C)/C(=N\C)c1ccccc1
InChIInChI=1S/C15H19N/c1-11(2)12(3)13(4)15(16-5)14-9-7-6-8-10-14/h6-10H,4H2,1-3,5H3/b16-15+
InChIKeyIVJJMLMIIISQCS-FOCLMDBBSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enoic acid
CID 89343741
N-(2-methyl-1-phenylprop-2-enylidene)hydroxylamine
CID 73116354
2-bromo-N,3-dimethyl-1-phenylbut-3-en-1-imine
CID 142884235
(E)-1-(methylideneamino)-3-methylimino-3-phenylprop-1-en-2-amine
CID 134240332
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
dilithium;hydride;tetrakis(prop-1-en-2-ylbenzene)
CID 173210084
methylimino(oxo)methane;prop-1-en-2-ylbenzene
CID 157367451
ethene;N'-methylbenzenecarboximidamide
CID 142294327
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776
(Z)-3-amino-N-methyl-2-(N-methyl-C-phenylcarbonimidoyl)but-2-enamide
CID 143093080

Frequently Asked Questions

What is the IUPAC name of N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine?
The IUPAC name of N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine (CID 123311258) is N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine.
What is the SMILES notation for N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine?
The canonical SMILES for N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine is C=C(C(C)=C(C)C)/C(=N\C)c1ccccc1.
What is the InChIKey of N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine?
The InChIKey is IVJJMLMIIISQCS-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H19N/c1-11(2)12(3)13(4)15(16-5)14-9-7-6-8-10-14/h6-10H,4H2,1-3,5H3/b16-15+.
What are the key properties of N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine?
N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine has a molecular weight of 213.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4-trimethyl-2-methylidene-1-phenylpent-3-en-1-imine is sourced from PubChem (CID 123311258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).