(Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine

C14H25N — CID 131965930

IUPAC(Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(/C=C(\C=N\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-11(13(2,3)4)9-12(10-15-8)14(5,6)7/h9-10H,1H2,2-8H3/b12-9+,15-10+
InChIKeyHREJUKXDANEBLO-VIKUFGDRSA-N
MW207.36 g/mol
LogP4.26
Rot. Bonds2

About (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine

(Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine (PubChem CID 131965930) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine
PubChem CID131965930
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(/C=C(\C=N\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H25N/c1-11(13(2,3)4)9-12(10-15-8)14(5,6)7/h9-10H,1H2,2-8H3/b12-9+,15-10+
InChIKeyHREJUKXDANEBLO-VIKUFGDRSA-N
XLogP4.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine?
The IUPAC name of (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine (CID 131965930) is (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine.
What is the SMILES notation for (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine?
The canonical SMILES for (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine is C=C(/C=C(\C=N\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine?
The InChIKey is HREJUKXDANEBLO-VIKUFGDRSA-N. The full InChI is InChI=1S/C14H25N/c1-11(13(2,3)4)9-12(10-15-8)14(5,6)7/h9-10H,1H2,2-8H3/b12-9+,15-10+.
What are the key properties of (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine?
(Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine has a molecular weight of 207.36 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-N,5,5-trimethyl-4-methylidenehex-2-en-1-imine is sourced from PubChem (CID 131965930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).