(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine

C13H25N — CID 59179929

IUPAC(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine
SMILESC/C(=C/C(C)=N/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-10(12(3,4)5)9-11(2)14-13(6,7)8/h9H,1-8H3/b10-9-,14-11+
InChIKeyRYSXMGUNHSJYNE-TVFNDYRWSA-N
MW195.35 g/mol
LogP4.24
Rot. Bonds1

About (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine

(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine (PubChem CID 59179929) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine
PubChem CID59179929
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine
SMILESC/C(=C/C(C)=N/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H25N/c1-10(12(3,4)5)9-11(2)14-13(6,7)8/h9H,1-8H3/b10-9-,14-11+
InChIKeyRYSXMGUNHSJYNE-TVFNDYRWSA-N
XLogP4.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.24
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

t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
2,2,3,5-tetramethyl-2H-pyrrole
CID 14342946
(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
(Z)-N-tert-butyl-3,4,4-trimethylpent-2-en-1-imine
CID 59180017
(5Z)-6,10-dimethyl-N-(2,3,3-trimethylbutan-2-yl)undeca-5,9-dien-4-imine
CID 88928035
(4Z)-N-tert-butyl-2,2,5-trimethylhepta-4,6-dien-3-imine
CID 89360730
(E)-4,5,5-trimethylhex-3-en-2-imine
CID 117717653
N,2,2,5,6,6-hexamethylhept-4-en-3-imine
CID 123161539
2-N,5-N,3,6,6-pentamethylhept-3-ene-2,5-diimine
CID 123257514
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
3,5-dimethyl-N-(2-methylbutan-2-yl)cyclohepta-2,4,6-trien-1-imine
CID 123512952

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine?
The IUPAC name of (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine (CID 59179929) is (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine.
What is the SMILES notation for (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine?
The canonical SMILES for (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine is C/C(=C/C(C)=N/C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine?
The InChIKey is RYSXMGUNHSJYNE-TVFNDYRWSA-N. The full InChI is InChI=1S/C13H25N/c1-10(12(3,4)5)9-11(2)14-13(6,7)8/h9H,1-8H3/b10-9-,14-11+.
What are the key properties of (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine?
(Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine has a molecular weight of 195.35 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butyl-4,5,5-trimethylhex-3-en-2-imine is sourced from PubChem (CID 59179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).