5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine

C17H31N — CID 90867406

IUPAC5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine
SMILESCCC(C)(C)/N=C1\C=CC(C(C)C)C1C(C)(C)C
InChIInChI=1S/C17H31N/c1-9-17(7,8)18-14-11-10-13(12(2)3)15(14)16(4,5)6/h10-13,15H,9H2,1-8H3/b18-14+
InChIKeyZXZFUKKGADAJIF-NBVRZTHBSA-N
MW249.44 g/mol
LogP5.12
Rot. Bonds3

About 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine

5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine (PubChem CID 90867406) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine.

Molecular Properties

Compound Name5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine
PubChem CID90867406
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine
SMILESCCC(C)(C)/N=C1\C=CC(C(C)C)C1C(C)(C)C
InChIInChI=1S/C17H31N/c1-9-17(7,8)18-14-11-10-13(12(2)3)15(14)16(4,5)6/h10-13,15H,9H2,1-8H3/b18-14+
InChIKeyZXZFUKKGADAJIF-NBVRZTHBSA-N
XLogP5.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-propan-2-ylcyclohex-2-en-1-imine
CID 123690471
8-ethyl-N,3,9-trimethyldec-6-en-5-imine
CID 123773450
2,6-ditert-butyl-2-methyl-3H-pyridine
CID 139315492
(2S)-2-tert-butyl-2,3,5-trimethylpyrrole
CID 141878165
2-tert-butyl-2,6-dimethyl-3H-pyridine
CID 154966014
N-(1,4-diethylcyclobut-2-en-1-yl)-4-ethyl-4-methylhexan-3-imine
CID 156046972
(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine;methane;2,2,4,8,8-pentamethylnonane
CID 160295681
ethane;(Z)-N,5,5,7,7-pentamethylnon-2-en-4-imine
CID 166088744
(5E,9E)-5,9,12,12-tetramethyl-N-(2-methylbutan-2-yl)pentadeca-5,9-dien-2-imine
CID 167163039
4-ethyl-N,4,5-trimethylcyclohex-2-en-1-imine
CID 168246582
N,4,4,5-tetramethylcyclohex-2-en-1-imine
CID 168246601
2,6-dimethyl-5-(2-methylpropyl)-2-propan-2-yl-3H-pyridine
CID 170193884

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine?
The IUPAC name of 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine (CID 90867406) is 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine.
What is the SMILES notation for 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine?
The canonical SMILES for 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine is CCC(C)(C)/N=C1\C=CC(C(C)C)C1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine?
The InChIKey is ZXZFUKKGADAJIF-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H31N/c1-9-17(7,8)18-14-11-10-13(12(2)3)15(14)16(4,5)6/h10-13,15H,9H2,1-8H3/b18-14+.
What are the key properties of 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine?
5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine has a molecular weight of 249.44 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-methylbutan-2-yl)-4-propan-2-ylcyclopent-2-en-1-imine is sourced from PubChem (CID 90867406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).