(E)-N,3,5,5-tetramethylhex-2-en-1-imine

C10H19N — CID 122594331

IUPAC(E)-N,3,5,5-tetramethylhex-2-en-1-imine
SMILESC/N=C/C=C(\C)CC(C)(C)C
InChIInChI=1S/C10H19N/c1-9(6-7-11-5)8-10(2,3)4/h6-7H,8H2,1-5H3/b9-6+,11-7+
InChIKeyPUONTQRDFUCJDV-QHAIXMIYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds2

About (E)-N,3,5,5-tetramethylhex-2-en-1-imine

(E)-N,3,5,5-tetramethylhex-2-en-1-imine (PubChem CID 122594331) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (E)-N,3,5,5-tetramethylhex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N,3,5,5-tetramethylhex-2-en-1-imine
PubChem CID122594331
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(E)-N,3,5,5-tetramethylhex-2-en-1-imine
SMILESC/N=C/C=C(\C)CC(C)(C)C
InChIInChI=1S/C10H19N/c1-9(6-7-11-5)8-10(2,3)4/h6-7H,8H2,1-5H3/b9-6+,11-7+
InChIKeyPUONTQRDFUCJDV-QHAIXMIYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
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 (E)-N,3,5,5-tetramethylhex-2-en-1-imine?
The IUPAC name of (E)-N,3,5,5-tetramethylhex-2-en-1-imine (CID 122594331) is (E)-N,3,5,5-tetramethylhex-2-en-1-imine.
What is the SMILES notation for (E)-N,3,5,5-tetramethylhex-2-en-1-imine?
The canonical SMILES for (E)-N,3,5,5-tetramethylhex-2-en-1-imine is C/N=C/C=C(\C)CC(C)(C)C.
What is the InChIKey of (E)-N,3,5,5-tetramethylhex-2-en-1-imine?
The InChIKey is PUONTQRDFUCJDV-QHAIXMIYSA-N. The full InChI is InChI=1S/C10H19N/c1-9(6-7-11-5)8-10(2,3)4/h6-7H,8H2,1-5H3/b9-6+,11-7+.
What are the key properties of (E)-N,3,5,5-tetramethylhex-2-en-1-imine?
(E)-N,3,5,5-tetramethylhex-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,3,5,5-tetramethylhex-2-en-1-imine is sourced from PubChem (CID 122594331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).