N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine

C16H25N — CID 143699749

IUPACN-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine
SMILESC=C(C(C)C)C1C=C(CC(C)C)C=C/C1=N\C
InChIInChI=1S/C16H25N/c1-11(2)9-14-7-8-16(17-6)15(10-14)13(5)12(3)4/h7-8,10-12,15H,5,9H2,1-4,6H3/b17-16+
InChIKeyGZOOBKQMOBWGGO-WUKNDPDISA-N
MW231.38 g/mol
LogP4.43
Rot. Bonds4

About N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine

N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine (PubChem CID 143699749) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine
PubChem CID143699749
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine
SMILESC=C(C(C)C)C1C=C(CC(C)C)C=C/C1=N\C
InChIInChI=1S/C16H25N/c1-11(2)9-14-7-8-16(17-6)15(10-14)13(5)12(3)4/h7-8,10-12,15H,5,9H2,1-4,6H3/b17-16+
InChIKeyGZOOBKQMOBWGGO-WUKNDPDISA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine?
The IUPAC name of N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine (CID 143699749) is N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine is C=C(C(C)C)C1C=C(CC(C)C)C=C/C1=N\C.
What is the InChIKey of N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine?
The InChIKey is GZOOBKQMOBWGGO-WUKNDPDISA-N. The full InChI is InChI=1S/C16H25N/c1-11(2)9-14-7-8-16(17-6)15(10-14)13(5)12(3)4/h7-8,10-12,15H,5,9H2,1-4,6H3/b17-16+.
What are the key properties of N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine?
N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine has a molecular weight of 231.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylbut-1-en-2-yl)-4-(2-methylpropyl)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 143699749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).