N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline

C16H21N — CID 102014497

IUPACN-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline
SMILESCC1=C(C)C(N(C)c2ccccc2)C(C)=C1C
InChIInChI=1S/C16H21N/c1-11-12(2)14(4)16(13(11)3)17(5)15-9-7-6-8-10-15/h6-10,16H,1-5H3
InChIKeyZFVYJCSIFGZZGI-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.18
Rot. Bonds2

About N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline

N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline (PubChem CID 102014497) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline.

Molecular Properties

Compound NameN-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline
PubChem CID102014497
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline
SMILESCC1=C(C)C(N(C)c2ccccc2)C(C)=C1C
InChIInChI=1S/C16H21N/c1-11-12(2)14(4)16(13(11)3)17(5)15-9-7-6-8-10-15/h6-10,16H,1-5H3
InChIKeyZFVYJCSIFGZZGI-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethylaniline
CID 70392672
N,N,2,3,4,5-hexamethylcyclopenta-2,4-dien-1-amine
CID 19067367
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N,N-dimethylaniline;osmium(4+)
CID 172845967
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
(N-methylanilino)azanide
CID 163517581
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline?
The IUPAC name of N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline (CID 102014497) is N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline.
What is the SMILES notation for N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline?
The canonical SMILES for N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline is CC1=C(C)C(N(C)c2ccccc2)C(C)=C1C.
What is the InChIKey of N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline?
The InChIKey is ZFVYJCSIFGZZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-11-12(2)14(4)16(13(11)3)17(5)15-9-7-6-8-10-15/h6-10,16H,1-5H3.
What are the key properties of N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline?
N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline has a molecular weight of 227.35 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)aniline is sourced from PubChem (CID 102014497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).