(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine

C14H27N — CID 59049750

IUPAC(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
SMILESCC(C)C(/C=C\C(C)(C)C)=N\C(C)(C)C
InChIInChI=1S/C14H27N/c1-11(2)12(15-14(6,7)8)9-10-13(3,4)5/h9-11H,1-8H3/b10-9-,15-12-
InChIKeyCYNXKXYKBZJZGJ-UWAUXONXSA-N
MW209.38 g/mol
LogP4.48
Rot. Bonds2

About (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine

(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine (PubChem CID 59049750) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
PubChem CID59049750
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine
SMILESCC(C)C(/C=C\C(C)(C)C)=N\C(C)(C)C
InChIInChI=1S/C14H27N/c1-11(2)12(15-14(6,7)8)9-10-13(3,4)5/h9-11H,1-8H3/b10-9-,15-12-
InChIKeyCYNXKXYKBZJZGJ-UWAUXONXSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
2-[(E)-but-2-enyl]-5-ethyl-2-methylpyrrole
CID 134890969
2-Ethyl-2,5-dimethylpyrrole
CID 53979597
(Z)-N-tert-butyl-3,5,5-trimethylhex-3-en-2-imine
CID 59179882
(Z)-N-tert-butyl-5,5-dimethylhex-3-en-2-imine
CID 59179883
(4Z)-N-tert-butyl-2,2,5-trimethylhepta-4,6-dien-3-imine
CID 89360730
(Z)-N,2-dimethylhex-4-en-3-imine
CID 91144360
(Z)-N,5,6-trimethylhept-3-en-2-imine
CID 91244028
(Z)-N,5-dimethylhept-3-en-2-imine
CID 91525270
(Z)-2-methyl-N-[(E)-pent-2-en-2-yl]hex-4-en-3-imine
CID 121480618
(Z)-2-N,6-dimethylhept-3-ene-2,5-diimine
CID 122450897
N,7-dimethyloct-4-en-3-imine
CID 123165912

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine?
The IUPAC name of (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine (CID 59049750) is (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine.
What is the SMILES notation for (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine?
The canonical SMILES for (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine is CC(C)C(/C=C\C(C)(C)C)=N\C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine?
The InChIKey is CYNXKXYKBZJZGJ-UWAUXONXSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)12(15-14(6,7)8)9-10-13(3,4)5/h9-11H,1-8H3/b10-9-,15-12-.
What are the key properties of (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine?
(Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine has a molecular weight of 209.38 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-2,6,6-trimethylhept-4-en-3-imine is sourced from PubChem (CID 59049750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).