2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine

C18H36N2 — CID 638163

IUPAC2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine
SMILESCC(C)(C)C(=NN=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H36N2/c1-15(2,3)13(16(4,5)6)19-20-14(17(7,8)9)18(10,11)12/h1-12H3
InChIKeyDWMHYMBCBXWYLA-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.97
Rot. Bonds1

About 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine

2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine (PubChem CID 638163) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine
PubChem CID638163
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine
SMILESCC(C)(C)C(=NN=C(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H36N2/c1-15(2,3)13(16(4,5)6)19-20-14(17(7,8)9)18(10,11)12/h1-12H3
InChIKeyDWMHYMBCBXWYLA-UHFFFAOYSA-N
XLogP5.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine?
The IUPAC name of 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine (CID 638163) is 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine.
What is the SMILES notation for 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine?
The canonical SMILES for 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine is CC(C)(C)C(=NN=C(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine?
The InChIKey is DWMHYMBCBXWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-15(2,3)13(16(4,5)6)19-20-14(17(7,8)9)18(10,11)12/h1-12H3.
What are the key properties of 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine?
2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine has a molecular weight of 280.50 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-N-(2,2,4,4-tetramethylpentan-3-ylideneamino)pentan-3-imine is sourced from PubChem (CID 638163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).