(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine

C12H21N — CID 89269440

IUPAC(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine
SMILES[H]/N=C/C(C)(C)C/C=C(/C)C=C(C)C
InChIInChI=1S/C12H21N/c1-10(2)8-11(3)6-7-12(4,5)9-13/h6,8-9,13H,7H2,1-5H3/b11-6-,13-9+
InChIKeyNHXZRHBJEKKRBT-SYCZFAMZSA-N
MW179.31 g/mol
LogP3.96
Rot. Bonds4

About (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine

(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine (PubChem CID 89269440) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine.

Molecular Properties

Compound Name(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine
PubChem CID89269440
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine
SMILES[H]/N=C/C(C)(C)C/C=C(/C)C=C(C)C
InChIInChI=1S/C12H21N/c1-10(2)8-11(3)6-7-12(4,5)9-13/h6,8-9,13H,7H2,1-5H3/b11-6-,13-9+
InChIKeyNHXZRHBJEKKRBT-SYCZFAMZSA-N
XLogP3.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine?
The IUPAC name of (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine (CID 89269440) is (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine.
What is the SMILES notation for (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine?
The canonical SMILES for (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine is [H]/N=C/C(C)(C)C/C=C(/C)C=C(C)C.
What is the InChIKey of (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine?
The InChIKey is NHXZRHBJEKKRBT-SYCZFAMZSA-N. The full InChI is InChI=1S/C12H21N/c1-10(2)8-11(3)6-7-12(4,5)9-13/h6,8-9,13H,7H2,1-5H3/b11-6-,13-9+.
What are the key properties of (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine?
(4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,2,5,7-tetramethylocta-4,6-dien-1-imine is sourced from PubChem (CID 89269440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).