(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine

C16H32N2 — CID 134883173

IUPAC(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine
SMILESCC/C(CC(C)(C)C)=N/N=C(\CC)CC(C)(C)C
InChIInChI=1S/C16H32N2/c1-9-13(11-15(3,4)5)17-18-14(10-2)12-16(6,7)8/h9-12H2,1-8H3/b17-13-,18-14+
InChIKeyPYLLTSWJRDLJMA-SIJTWYJSSA-N
MW252.45 g/mol
LogP5.48
Rot. Bonds5

About (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine

(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine (PubChem CID 134883173) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine
PubChem CID134883173
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine
SMILESCC/C(CC(C)(C)C)=N/N=C(\CC)CC(C)(C)C
InChIInChI=1S/C16H32N2/c1-9-13(11-15(3,4)5)17-18-14(10-2)12-16(6,7)8/h9-12H2,1-8H3/b17-13-,18-14+
InChIKeyPYLLTSWJRDLJMA-SIJTWYJSSA-N
XLogP5.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.48
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'}

Analyze (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine with MolForge

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Related Compounds

2,2,4,4-Tetramethylpentan-3-one (1-tert-butyl-2,2-dimethylpropylidene)hydrazone (non-preferred name)
CID 638163
(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
CID 59873286
(E)-N-[(Z)-4,4-dimethylpentan-2-ylideneamino]-4,4-dimethylpentan-2-imine
CID 134897223
4-Diazo-2,2,6,6-tetramethylheptane
CID 20728936
3-(2,2-dimethylpropyl)-5-methyl-4H-pyrazole
CID 58051075
3-tert-butyl-5-methyl-4H-pyrazole
CID 59587710
3,5-ditert-butyl-4H-pyrazole
CID 59825104
3,4,5-Trimethyl-4-propylpyrazole
CID 89201257
(Z)-2,2,5,5-tetramethylhexan-3-ylidenehydrazine
CID 122659026
(E)-2,2,5,5-tetramethylhexan-3-ylidenehydrazine
CID 122659054
ethyl 5-tert-butyl-4H-pyrazole
CID 131746948
(Z)-5,5-dimethyl-N-(methylideneamino)hexan-2-imine
CID 146200228

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine?
The IUPAC name of (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine (CID 134883173) is (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine.
What is the SMILES notation for (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine?
The canonical SMILES for (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine is CC/C(CC(C)(C)C)=N/N=C(\CC)CC(C)(C)C.
What is the InChIKey of (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine?
The InChIKey is PYLLTSWJRDLJMA-SIJTWYJSSA-N. The full InChI is InChI=1S/C16H32N2/c1-9-13(11-15(3,4)5)17-18-14(10-2)12-16(6,7)8/h9-12H2,1-8H3/b17-13-,18-14+.
What are the key properties of (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine?
(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine has a molecular weight of 252.45 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine is sourced from PubChem (CID 134883173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).