4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline

C14H19N — CID 102363273

IUPAC4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline
SMILESC=C(C=C(C)C)CNc1ccc(C)cc1
InChIInChI=1S/C14H19N/c1-11(2)9-13(4)10-15-14-7-5-12(3)6-8-14/h5-9,15H,4,10H2,1-3H3
InChIKeyIHTFSPBKNZRKSV-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.93
Rot. Bonds4

About 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline

4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline (PubChem CID 102363273) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline
PubChem CID102363273
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline
SMILESC=C(C=C(C)C)CNc1ccc(C)cc1
InChIInChI=1S/C14H19N/c1-11(2)9-13(4)10-15-14-7-5-12(3)6-8-14/h5-9,15H,4,10H2,1-3H3
InChIKeyIHTFSPBKNZRKSV-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline?
The IUPAC name of 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline (CID 102363273) is 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline.
What is the SMILES notation for 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline?
The canonical SMILES for 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline is C=C(C=C(C)C)CNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline?
The InChIKey is IHTFSPBKNZRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)9-13(4)10-15-14-7-5-12(3)6-8-14/h5-9,15H,4,10H2,1-3H3.
What are the key properties of 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline?
4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline has a molecular weight of 201.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-2-methylidenepent-3-enyl)aniline is sourced from PubChem (CID 102363273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).