N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine

C18H23N — CID 154426356

IUPACN-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine
SMILESCC1=CC(c2ccccc2/C=N/C(C)(C)C)C(C)=C1
InChIInChI=1S/C18H23N/c1-13-10-14(2)17(11-13)16-9-7-6-8-15(16)12-19-18(3,4)5/h6-12,17H,1-5H3/b19-12+
InChIKeyHBBUUWAPLHTWRZ-XDHOZWIPSA-N
MW253.39 g/mol
LogP4.89
Rot. Bonds2

About N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine

N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine (PubChem CID 154426356) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine
PubChem CID154426356
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine
SMILESCC1=CC(c2ccccc2/C=N/C(C)(C)C)C(C)=C1
InChIInChI=1S/C18H23N/c1-13-10-14(2)17(11-13)16-9-7-6-8-15(16)12-19-18(3,4)5/h6-12,17H,1-5H3/b19-12+
InChIKeyHBBUUWAPLHTWRZ-XDHOZWIPSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-[2-(3-methylcyclopenta-1,3-dien-1-yl)phenyl]methanimine
CID 23015455
2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067468
5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine
CID 141067018
[2-(tert-butyliminomethyl)phenyl] acetate
CID 15905761
1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
CID 141067012
N-tert-butyl-1-(3-tert-butyl-2-methylphenyl)methanimine;dichlorotitanium;hydrate
CID 22968723
N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
CID 154500013
bis(2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)-1H-indole);zirconium(2+);dichloride
CID 175811739
1-methanidyl-2-methyl-1H-indene;zirconium
CID 173317989
2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
CID 154426433
ethyl (E)-4-[2-(tert-butyliminomethyl)phenoxy]but-2-enoate
CID 11323726
N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 141067325

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine?
The IUPAC name of N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine (CID 154426356) is N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine.
What is the SMILES notation for N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine?
The canonical SMILES for N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine is CC1=CC(c2ccccc2/C=N/C(C)(C)C)C(C)=C1.
What is the InChIKey of N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine?
The InChIKey is HBBUUWAPLHTWRZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H23N/c1-13-10-14(2)17(11-13)16-9-7-6-8-15(16)12-19-18(3,4)5/h6-12,17H,1-5H3/b19-12+.
What are the key properties of N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine?
N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine has a molecular weight of 253.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine is sourced from PubChem (CID 154426356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).