N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline

C27H29N — CID 154500013

IUPACN-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
SMILESCC1=CC(c2ccc3ccccc3c2CNc2c(C)cc(C)cc2C)C(C)=C1
InChIInChI=1S/C27H29N/c1-17-13-20(4)27(21(5)14-17)28-16-26-23-9-7-6-8-22(23)10-11-24(26)25-15-18(2)12-19(25)3/h6-15,25,28H,16H2,1-5H3
InChIKeyULNNGDGOZNRVNW-UHFFFAOYSA-N
MW367.54 g/mol
LogP7.37
Rot. Bonds4

About N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline

N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline (PubChem CID 154500013) has the molecular formula C27H29N and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
PubChem CID154500013
Molecular FormulaC27H29N
Molecular Weight367.54 g/mol
Exact Mass367.23
IUPAC NameN-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
SMILESCC1=CC(c2ccc3ccccc3c2CNc2c(C)cc(C)cc2C)C(C)=C1
InChIInChI=1S/C27H29N/c1-17-13-20(4)27(21(5)14-17)28-16-26-23-9-7-6-8-22(23)10-11-24(26)25-15-18(2)12-19(25)3/h6-15,25,28H,16H2,1-5H3
InChIKeyULNNGDGOZNRVNW-UHFFFAOYSA-N
XLogP7.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067468
1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
CID 141067012
N-[[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
CID 23015932
1-[(2-chloro-6-methylanilino)methyl]naphthalen-2-ol
CID 66257993
[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium
CID 87586888
2,4,6-trimethyl-N-[[2-(3-methylcyclopenta-2,4-dien-1-yl)phenyl]methyl]aniline
CID 154499934
[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methyl-(2,4,6-trimethylphenyl)azanide;titanium(3+);dichloride
CID 87500510
N-[[2-(1H-inden-1-yl)naphthalen-1-yl]methyl]aniline
CID 23015745
N-[(2,3-dimethylphenyl)methyl]-2,4,6-trimethylaniline
CID 55191577
2-[(1S)-1-[[2-[(2,4,6-trimethylanilino)methyl]naphthalen-1-yl]amino]ethyl]phenol
CID 71049445
N-[[2-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-yl]naphthalen-1-yl]methyl]-2-methylpropan-2-amine
CID 154500027
bis(2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-1H-indole);zirconium(2+);dichloride
CID 175811739

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline (CID 154500013) is N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline is CC1=CC(c2ccc3ccccc3c2CNc2c(C)cc(C)cc2C)C(C)=C1.
What is the InChIKey of N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
The InChIKey is ULNNGDGOZNRVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N/c1-17-13-20(4)27(21(5)14-17)28-16-26-23-9-7-6-8-22(23)10-11-24(26)25-15-18(2)12-19(25)3/h6-15,25,28H,16H2,1-5H3.
What are the key properties of N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline?
N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline has a molecular weight of 367.54 g/mol, XLogP of 7.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 154500013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).