N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine

C17H23N — CID 173119428

IUPACN-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine
SMILESCC1=CC=C(C)C1C1=CC=CC/C1=N\C(C)(C)C
InChIInChI=1S/C17H23N/c1-12-10-11-13(2)16(12)14-8-6-7-9-15(14)18-17(3,4)5/h6-8,10-11,16H,9H2,1-5H3/b18-15+
InChIKeyKDTGISAOIHWJGW-OBGWFSINSA-N
MW241.38 g/mol
LogP4.63
Rot. Bonds1

About N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine

N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine (PubChem CID 173119428) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine
PubChem CID173119428
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine
SMILESCC1=CC=C(C)C1C1=CC=CC/C1=N\C(C)(C)C
InChIInChI=1S/C17H23N/c1-12-10-11-13(2)16(12)14-8-6-7-9-15(14)18-17(3,4)5/h6-8,10-11,16H,9H2,1-5H3/b18-15+
InChIKeyKDTGISAOIHWJGW-OBGWFSINSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine with MolForge

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Related Compounds

(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 172985783
1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
(2-fluorocyclohexa-2,4-dien-1-ylidene)hydrazine
CID 67687921
2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene
CID 121009040
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
CID 123397571
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
3-methyl-7,7a-dihydro-1H-indene
CID 90996575
N-(cyclopenta-1,3-dien-1-ylmethyl)-2-methylpropan-2-amine
CID 58466372

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine (CID 173119428) is N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine is CC1=CC=C(C)C1C1=CC=CC/C1=N\C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine?
The InChIKey is KDTGISAOIHWJGW-OBGWFSINSA-N. The full InChI is InChI=1S/C17H23N/c1-12-10-11-13(2)16(12)14-8-6-7-9-15(14)18-17(3,4)5/h6-8,10-11,16H,9H2,1-5H3/b18-15+.
What are the key properties of N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine?
N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine has a molecular weight of 241.38 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,5-dimethylcyclopenta-2,4-dien-1-yl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 173119428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).