N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline

C18H21N — CID 143494911

IUPACN-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
SMILESC=C(CC)Nc1ccc(C(=C)C2=CCCC=C2)cc1
InChIInChI=1S/C18H21N/c1-4-14(2)19-18-12-10-17(11-13-18)15(3)16-8-6-5-7-9-16/h6,8-13,19H,2-5,7H2,1H3
InChIKeyQNJPZNKJGUGYDR-UHFFFAOYSA-N
MW251.37 g/mol
LogP5.31
Rot. Bonds5

About N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline

N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline (PubChem CID 143494911) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline.

Molecular Properties

Compound NameN-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
PubChem CID143494911
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC NameN-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
SMILESC=C(CC)Nc1ccc(C(=C)C2=CCCC=C2)cc1
InChIInChI=1S/C18H21N/c1-4-14(2)19-18-12-10-17(11-13-18)15(3)16-8-6-5-7-9-16/h6,8-13,19H,2-5,7H2,1H3
InChIKeyQNJPZNKJGUGYDR-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline?
The IUPAC name of N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline (CID 143494911) is N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline.
What is the SMILES notation for N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline?
The canonical SMILES for N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline is C=C(CC)Nc1ccc(C(=C)C2=CCCC=C2)cc1.
What is the InChIKey of N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline?
The InChIKey is QNJPZNKJGUGYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-4-14(2)19-18-12-10-17(11-13-18)15(3)16-8-6-5-7-9-16/h6,8-13,19H,2-5,7H2,1H3.
What are the key properties of N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline?
N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline has a molecular weight of 251.37 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline is sourced from PubChem (CID 143494911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).