2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline

C16H23N — CID 146384300

IUPAC2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline
SMILESC=CCCc1ccccc1N(C)CCC(=C)C
InChIInChI=1S/C16H23N/c1-5-6-9-15-10-7-8-11-16(15)17(4)13-12-14(2)3/h5,7-8,10-11H,1-2,6,9,12-13H2,3-4H3
InChIKeyHCBRNJWPTPSHCW-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.21
Rot. Bonds7

About 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline

2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline (PubChem CID 146384300) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline.

Molecular Properties

Compound Name2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline
PubChem CID146384300
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline
SMILESC=CCCc1ccccc1N(C)CCC(=C)C
InChIInChI=1S/C16H23N/c1-5-6-9-15-10-7-8-11-16(15)17(4)13-12-14(2)3/h5,7-8,10-11H,1-2,6,9,12-13H2,3-4H3
InChIKeyHCBRNJWPTPSHCW-UHFFFAOYSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline?
The IUPAC name of 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline (CID 146384300) is 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline.
What is the SMILES notation for 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline?
The canonical SMILES for 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline is C=CCCc1ccccc1N(C)CCC(=C)C.
What is the InChIKey of 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline?
The InChIKey is HCBRNJWPTPSHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-6-9-15-10-7-8-11-16(15)17(4)13-12-14(2)3/h5,7-8,10-11H,1-2,6,9,12-13H2,3-4H3.
What are the key properties of 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline?
2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline has a molecular weight of 229.37 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-N-methyl-N-(3-methylbut-3-enyl)aniline is sourced from PubChem (CID 146384300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).