(Z)-N-tert-butyl-4-methylhex-2-en-1-imine

C11H21N — CID 138484906

IUPAC(Z)-N-tert-butyl-4-methylhex-2-en-1-imine
SMILESCCC(C)/C=C\C=N\C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-10(2)8-7-9-12-11(3,4)5/h7-10H,6H2,1-5H3/b8-7-,12-9+
InChIKeyZRLIMNDEBKGPDE-HVTAIUIQSA-N
MW167.30 g/mol
LogP3.46
Rot. Bonds3

About (Z)-N-tert-butyl-4-methylhex-2-en-1-imine

(Z)-N-tert-butyl-4-methylhex-2-en-1-imine (PubChem CID 138484906) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (Z)-N-tert-butyl-4-methylhex-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-tert-butyl-4-methylhex-2-en-1-imine
PubChem CID138484906
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(Z)-N-tert-butyl-4-methylhex-2-en-1-imine
SMILESCCC(C)/C=C\C=N\C(C)(C)C
InChIInChI=1S/C11H21N/c1-6-10(2)8-7-9-12-11(3,4)5/h7-10H,6H2,1-5H3/b8-7-,12-9+
InChIKeyZRLIMNDEBKGPDE-HVTAIUIQSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.46
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)-N-tert-butyl-4-methylhex-2-en-1-imine?
The IUPAC name of (Z)-N-tert-butyl-4-methylhex-2-en-1-imine (CID 138484906) is (Z)-N-tert-butyl-4-methylhex-2-en-1-imine.
What is the SMILES notation for (Z)-N-tert-butyl-4-methylhex-2-en-1-imine?
The canonical SMILES for (Z)-N-tert-butyl-4-methylhex-2-en-1-imine is CCC(C)/C=C\C=N\C(C)(C)C.
What is the InChIKey of (Z)-N-tert-butyl-4-methylhex-2-en-1-imine?
The InChIKey is ZRLIMNDEBKGPDE-HVTAIUIQSA-N. The full InChI is InChI=1S/C11H21N/c1-6-10(2)8-7-9-12-11(3,4)5/h7-10H,6H2,1-5H3/b8-7-,12-9+.
What are the key properties of (Z)-N-tert-butyl-4-methylhex-2-en-1-imine?
(Z)-N-tert-butyl-4-methylhex-2-en-1-imine has a molecular weight of 167.30 g/mol, XLogP of 3.46, 3 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-methylhex-2-en-1-imine is sourced from PubChem (CID 138484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).