(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine

C14H28N2 — CID 59873286

IUPAC(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
SMILESCC/C(=N/N=C(\CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-9-11(13(3,4)5)15-16-12(10-2)14(6,7)8/h9-10H2,1-8H3/b15-11-,16-12+
InChIKeyYVLXQSCARPMRLL-UKVBVZPVSA-N
MW224.39 g/mol
LogP4.70
Rot. Bonds3

About (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine

(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine (PubChem CID 59873286) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine.

Molecular Properties

Compound Name(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
PubChem CID59873286
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine
SMILESCC/C(=N/N=C(\CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-9-11(13(3,4)5)15-16-12(10-2)14(6,7)8/h9-10H2,1-8H3/b15-11-,16-12+
InChIKeyYVLXQSCARPMRLL-UKVBVZPVSA-N
XLogP4.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.70
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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Related Compounds

2,2,4,4-Tetramethylpentan-3-one (1-tert-butyl-2,2-dimethylpropylidene)hydrazone (non-preferred name)
CID 638163
Di-tert-butyl ketone hydrazone
CID 638162
3-Diazo-2,2,4,4-tetramethylpentane
CID 638177
(E)-N-[(E)-3,3-dimethylbutan-2-ylideneamino]-3,3-dimethylbutan-2-imine
CID 11041694
2,4-Dimethyl-3-pentanone 2-(2-methyl-1-(1-methylethyl)propylidene)hydrazone
CID 12704925
Lithium di-t-butylmethyleneamide
CID 101048200
(E)-4-methyl-N-[(Z)-4-methylpentan-2-ylideneamino]pentan-2-imine
CID 13539589
(E)-4-methyl-N-[(E)-4-methylpentan-2-ylideneamino]pentan-2-imine
CID 13539590
(Z)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-3,3-dimethylbutan-2-imine
CID 102252877
(E)-N-[(Z)-5,5-dimethylhexan-3-ylideneamino]-5,5-dimethylhexan-3-imine
CID 134883173
(E)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-3,3-dimethylbutan-2-imine
CID 134897185
(E)-2-methyl-N-[(Z)-2-methylpentan-3-ylideneamino]pentan-3-imine
CID 134897201

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine?
The IUPAC name of (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine (CID 59873286) is (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine.
What is the SMILES notation for (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine?
The canonical SMILES for (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine is CC/C(=N/N=C(\CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine?
The InChIKey is YVLXQSCARPMRLL-UKVBVZPVSA-N. The full InChI is InChI=1S/C14H28N2/c1-9-11(13(3,4)5)15-16-12(10-2)14(6,7)8/h9-10H2,1-8H3/b15-11-,16-12+.
What are the key properties of (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine?
(E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine has a molecular weight of 224.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(Z)-2,2-dimethylpentan-3-ylideneamino]-2,2-dimethylpentan-3-imine is sourced from PubChem (CID 59873286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).