2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine

C13H23N — CID 89034784

IUPAC2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
SMILESC=C(C)/C(CC(C)(C)C)=N\C=C(C)C
InChIInChI=1S/C13H23N/c1-10(2)9-14-12(11(3)4)8-13(5,6)7/h9H,3,8H2,1-2,4-7H3/b14-12-
InChIKeyDFKILIIKIIPFLG-OWBHPGMISA-N
MW193.33 g/mol
LogP4.36
Rot. Bonds3

About 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine

2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine (PubChem CID 89034784) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine.

Molecular Properties

Compound Name2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
PubChem CID89034784
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
SMILESC=C(C)/C(CC(C)(C)C)=N\C=C(C)C
InChIInChI=1S/C13H23N/c1-10(2)9-14-12(11(3)4)8-13(5,6)7/h9H,3,8H2,1-2,4-7H3/b14-12-
InChIKeyDFKILIIKIIPFLG-OWBHPGMISA-N
XLogP4.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
The IUPAC name of 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine (CID 89034784) is 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine.
What is the SMILES notation for 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
The canonical SMILES for 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine is C=C(C)/C(CC(C)(C)C)=N\C=C(C)C.
What is the InChIKey of 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
The InChIKey is DFKILIIKIIPFLG-OWBHPGMISA-N. The full InChI is InChI=1S/C13H23N/c1-10(2)9-14-12(11(3)4)8-13(5,6)7/h9H,3,8H2,1-2,4-7H3/b14-12-.
What are the key properties of 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine has a molecular weight of 193.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine is sourced from PubChem (CID 89034784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).