2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline

C17H21N — CID 174460358

IUPAC2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline
SMILESCC=CC(C)(C)Nc1ccccc1C1=CC=CC1
InChIInChI=1S/C17H21N/c1-4-13-17(2,3)18-16-12-8-7-11-15(16)14-9-5-6-10-14/h4-9,11-13,18H,10H2,1-3H3
InChIKeyMARAKADPBKGJHL-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.80
Rot. Bonds4

About 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline

2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline (PubChem CID 174460358) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline.

Molecular Properties

Compound Name2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline
PubChem CID174460358
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline
SMILESCC=CC(C)(C)Nc1ccccc1C1=CC=CC1
InChIInChI=1S/C17H21N/c1-4-13-17(2,3)18-16-12-8-7-11-15(16)14-9-5-6-10-14/h4-9,11-13,18H,10H2,1-3H3
InChIKeyMARAKADPBKGJHL-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline
CID 143292973
N-[2-(2-cyclopenta-1,3-dien-1-ylphenyl)propan-2-yl]aniline
CID 68546854
tert-butyl-[1-(2-cyclopenta-1,3-dien-1-ylphenyl)ethyl]azanide;titanium(3+);dichloride
CID 87500350
1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
CID 174354698
1-cyclopenta-1,3-dien-1-yl-2-(2-methylbutan-2-yl)benzene;ethane;propane;1,2,3-trimethylbenzene
CID 143326915
[cyclopenta-1,3-dien-1-yl-(2-cyclopenta-1,3-dien-1-ylphenyl)methyl]-trimethylsilane
CID 18996423
2-cyclopenta-1,3-dien-1-ylbenzamide
CID 22676479
CID 21072158
CID 21072158
methane;1-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 145003907
1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
CID 18328507
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
1-cyclopenta-1,3-dien-1-yl-2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 139725078

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline?
The IUPAC name of 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline (CID 174460358) is 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline.
What is the SMILES notation for 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline?
The canonical SMILES for 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline is CC=CC(C)(C)Nc1ccccc1C1=CC=CC1.
What is the InChIKey of 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline?
The InChIKey is MARAKADPBKGJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-4-13-17(2,3)18-16-12-8-7-11-15(16)14-9-5-6-10-14/h4-9,11-13,18H,10H2,1-3H3.
What are the key properties of 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline?
2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline has a molecular weight of 239.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline is sourced from PubChem (CID 174460358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).