N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline

C19H17N — CID 89211432

IUPACN-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline
SMILESC=C(C#Cc1ccccc1)/C=C\c1ccccc1NC
InChIInChI=1S/C19H17N/c1-16(12-14-17-8-4-3-5-9-17)13-15-18-10-6-7-11-19(18)20-2/h3-11,13,15,20H,1H2,2H3/b15-13-
InChIKeyGOGFBRPIYKFKEN-SQFISAMPSA-N
MW259.35 g/mol
LogP4.35
Rot. Bonds3

About N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline

N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline (PubChem CID 89211432) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline
PubChem CID89211432
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC NameN-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline
SMILESC=C(C#Cc1ccccc1)/C=C\c1ccccc1NC
InChIInChI=1S/C19H17N/c1-16(12-14-17-8-4-3-5-9-17)13-15-18-10-6-7-11-19(18)20-2/h3-11,13,15,20H,1H2,2H3/b15-13-
InChIKeyGOGFBRPIYKFKEN-SQFISAMPSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline?
The IUPAC name of N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline (CID 89211432) is N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline.
What is the SMILES notation for N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline?
The canonical SMILES for N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline is C=C(C#Cc1ccccc1)/C=C\c1ccccc1NC.
What is the InChIKey of N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline?
The InChIKey is GOGFBRPIYKFKEN-SQFISAMPSA-N. The full InChI is InChI=1S/C19H17N/c1-16(12-14-17-8-4-3-5-9-17)13-15-18-10-6-7-11-19(18)20-2/h3-11,13,15,20H,1H2,2H3/b15-13-.
What are the key properties of N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline?
N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline has a molecular weight of 259.35 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(Z)-3-methylidene-5-phenylpent-1-en-4-ynyl]aniline is sourced from PubChem (CID 89211432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).