2,3,3,5,5-pentamethylocta-1,7-dien-4-imine

C13H23N — CID 142560273

IUPAC2,3,3,5,5-pentamethylocta-1,7-dien-4-imine
SMILES[H]/N=C(\C(C)(C)CC=C)C(C)(C)C(=C)C
InChIInChI=1S/C13H23N/c1-8-9-12(4,5)11(14)13(6,7)10(2)3/h8,14H,1-2,9H2,3-7H3/b14-11+
InChIKeyIODWBTDZGHYMGX-SDNWHVSQSA-N
MW193.33 g/mol
LogP4.21
Rot. Bonds5

About 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine

2,3,3,5,5-pentamethylocta-1,7-dien-4-imine (PubChem CID 142560273) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine.

Molecular Properties

Compound Name2,3,3,5,5-pentamethylocta-1,7-dien-4-imine
PubChem CID142560273
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,3,3,5,5-pentamethylocta-1,7-dien-4-imine
SMILES[H]/N=C(\C(C)(C)CC=C)C(C)(C)C(=C)C
InChIInChI=1S/C13H23N/c1-8-9-12(4,5)11(14)13(6,7)10(2)3/h8,14H,1-2,9H2,3-7H3/b14-11+
InChIKeyIODWBTDZGHYMGX-SDNWHVSQSA-N
XLogP4.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine?
The IUPAC name of 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine (CID 142560273) is 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine.
What is the SMILES notation for 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine?
The canonical SMILES for 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine is [H]/N=C(\C(C)(C)CC=C)C(C)(C)C(=C)C.
What is the InChIKey of 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine?
The InChIKey is IODWBTDZGHYMGX-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-8-9-12(4,5)11(14)13(6,7)10(2)3/h8,14H,1-2,9H2,3-7H3/b14-11+.
What are the key properties of 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine?
2,3,3,5,5-pentamethylocta-1,7-dien-4-imine has a molecular weight of 193.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5,5-pentamethylocta-1,7-dien-4-imine is sourced from PubChem (CID 142560273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).