N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane

C16H36NP — CID 144837092

IUPACN-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane
SMILESC=N/C=C(\CC)C(CC)CC(C)(C)C.CC.CP
InChIInChI=1S/C13H25N.C2H6.CH5P/c1-7-11(9-13(3,4)5)12(8-2)10-14-6;2*1-2/h10-11H,6-9H2,1-5H3;1-2H3;2H2,1H3/b12-10+;;
InChIKeyVJFGIURQPQBXJF-PFNYCKIMSA-N
MW273.44 g/mol
LogP5.96
Rot. Bonds5

About N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane

N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane (PubChem CID 144837092) has the molecular formula C16H36NP and a molecular weight of 273.44 g/mol. Its IUPAC name is N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane.

Molecular Properties

Compound NameN-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane
PubChem CID144837092
Molecular FormulaC16H36NP
Molecular Weight273.44 g/mol
Exact Mass273.26
IUPAC NameN-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane
SMILESC=N/C=C(\CC)C(CC)CC(C)(C)C.CC.CP
InChIInChI=1S/C13H25N.C2H6.CH5P/c1-7-11(9-13(3,4)5)12(8-2)10-14-6;2*1-2/h10-11H,6-9H2,1-5H3;1-2H3;2H2,1H3/b12-10+;;
InChIKeyVJFGIURQPQBXJF-PFNYCKIMSA-N
XLogP5.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-7-methyl-2-(6-methylheptan-3-yl)oct-1-enyl]methanimine
CID 134313970
N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
CID 139319938
N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane
CID 144712463
N-[(Z)-2,5,5-trimethyl-3-propylhex-1-enyl]methanimine
CID 154937360
N-[(Z)-2-ethyl-6,6-dimethyloct-1-enyl]methanimine
CID 174268436
N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine
CID 144837093

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane?
The IUPAC name of N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane (CID 144837092) is N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane.
What is the SMILES notation for N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane?
The canonical SMILES for N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane is C=N/C=C(\CC)C(CC)CC(C)(C)C.CC.CP.
What is the InChIKey of N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane?
The InChIKey is VJFGIURQPQBXJF-PFNYCKIMSA-N. The full InChI is InChI=1S/C13H25N.C2H6.CH5P/c1-7-11(9-13(3,4)5)12(8-2)10-14-6;2*1-2/h10-11H,6-9H2,1-5H3;1-2H3;2H2,1H3/b12-10+;;.
What are the key properties of N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane?
N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane has a molecular weight of 273.44 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-diethyl-5,5-dimethylhex-1-enyl]methanimine;ethane;methylphosphane is sourced from PubChem (CID 144837092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).