N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline

C17H23N — CID 143896294

IUPACN-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)c1ccc(NC2=CCCC=C2)cc1
InChIInChI=1S/C17H23N/c1-4-17(2,3)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h6,8-13,18H,4-5,7H2,1-3H3
InChIKeyBWGIMDHJFOWIRU-UHFFFAOYSA-N
MW241.38 g/mol
LogP5.02
Rot. Bonds4

About N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline

N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline (PubChem CID 143896294) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline
PubChem CID143896294
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline
SMILESCCC(C)(C)c1ccc(NC2=CCCC=C2)cc1
InChIInChI=1S/C17H23N/c1-4-17(2,3)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h6,8-13,18H,4-5,7H2,1-3H3
InChIKeyBWGIMDHJFOWIRU-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline (CID 143896294) is N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline is CCC(C)(C)c1ccc(NC2=CCCC=C2)cc1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline?
The InChIKey is BWGIMDHJFOWIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N/c1-4-17(2,3)14-10-12-16(13-11-14)18-15-8-6-5-7-9-15/h6,8-13,18H,4-5,7H2,1-3H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline?
N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline has a molecular weight of 241.38 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-4-(2-methylbutan-2-yl)aniline is sourced from PubChem (CID 143896294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).