N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline

C18H17N — CID 137467025

IUPACN-benzyl-N-cyclopenta-1,3-dien-1-ylaniline
SMILESC1=CCC(N(Cc2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C18H17N/c1-3-9-16(10-4-1)15-19(18-13-7-8-14-18)17-11-5-2-6-12-17/h1-13H,14-15H2
InChIKeyGTFVKPSIPLVWDZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.54
Rot. Bonds4

About N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline

N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline (PubChem CID 137467025) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline.

Molecular Properties

Compound NameN-benzyl-N-cyclopenta-1,3-dien-1-ylaniline
PubChem CID137467025
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC NameN-benzyl-N-cyclopenta-1,3-dien-1-ylaniline
SMILESC1=CCC(N(Cc2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C18H17N/c1-3-9-16(10-4-1)15-19(18-13-7-8-14-18)17-11-5-2-6-12-17/h1-13H,14-15H2
InChIKeyGTFVKPSIPLVWDZ-UHFFFAOYSA-N
XLogP4.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-cyclohepta-1,3,5-trien-1-yl-1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 142961371
N-cyclohexa-1,3-dien-1-yl-N-methylaniline
CID 90128279
N-benzyl-N-phenyl-1,3-dioxol-4-amine
CID 91803142
N-[(4-dimethylboranylphenyl)methyl]-N-phenylaniline
CID 58430122
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dibenzylaniline
CID 139071697
9-N-benzyl-9-N,10-N,10-N-triphenylanthracene-9,10-diamine
CID 134477124
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
benzyl-cyclopenta-1,3-dien-1-yl-dimethylsilane
CID 11344922
N-benzyl-N-phenylaniline;ethane;ethylbenzene;4-ethyl-N,N-diphenylaniline;N-ethyl-N-phenylaniline
CID 159513520
N-benzyl-N-phenyl-1-azacyclotridecen-2-amine
CID 20509767
1,1'-biphenyl;N-cyclohexa-1,3-dien-1-yl-N-methylaniline;ethane
CID 145203844

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline?
The IUPAC name of N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline (CID 137467025) is N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline.
What is the SMILES notation for N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline?
The canonical SMILES for N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline is C1=CCC(N(Cc2ccccc2)c2ccccc2)=C1.
What is the InChIKey of N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline?
The InChIKey is GTFVKPSIPLVWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-3-9-16(10-4-1)15-19(18-13-7-8-14-18)17-11-5-2-6-12-17/h1-13H,14-15H2.
What are the key properties of N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline?
N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline has a molecular weight of 247.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopenta-1,3-dien-1-ylaniline is sourced from PubChem (CID 137467025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).