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

C13H25N — CID 126706659

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

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

(Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine (PubChem CID 126706659) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine
PubChem CID126706659
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine
SMILESC/C=C(C(=N\C)\C(C)(C)C)/C(C)(C)C
InChIInChI=1S/C13H25N/c1-9-10(12(2,3)4)11(14-8)13(5,6)7/h9H,1-8H3/b10-9+,14-11-
InChIKeyKSNMLZCOPQHCHM-POLRJCGMSA-N
XLogP4.10
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 ≤ 54.10
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 (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine?
The IUPAC name of (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine (CID 126706659) is (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine.
What is the SMILES notation for (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine?
The canonical SMILES for (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine is C/C=C(C(=N\C)\C(C)(C)C)/C(C)(C)C.
What is the InChIKey of (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine?
The InChIKey is KSNMLZCOPQHCHM-POLRJCGMSA-N. The full InChI is InChI=1S/C13H25N/c1-9-10(12(2,3)4)11(14-8)13(5,6)7/h9H,1-8H3/b10-9+,14-11-.
What are the key properties of (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine?
(Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine has a molecular weight of 195.35 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-tert-butyl-N,2,2-trimethylhex-4-en-3-imine is sourced from PubChem (CID 126706659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).