N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine

C16H32N2 — CID 610573

IUPACN,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine
SMILESCC(C)C(/N=C/C=N/C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H32N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h9-16H,1-8H3/b17-9+,18-10+
InChIKeyOPLJRHRBQBCCER-BEQMOXJMSA-N
MW252.45 g/mol
LogP4.49
Rot. Bonds7

About N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine

N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine (PubChem CID 610573) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine
PubChem CID610573
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine
SMILESCC(C)C(/N=C/C=N/C(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H32N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h9-16H,1-8H3/b17-9+,18-10+
InChIKeyOPLJRHRBQBCCER-BEQMOXJMSA-N
XLogP4.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2S)-3,3-dimethylbutan-2-yl]ethane-1,2-diimine
CID 102501008
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);nickel
CID 174052217
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
CID 159257607
N-(2,4,5-trimethylhexan-3-yl)methanimine
CID 123223597
benzene;carbanide;N,N'-di(propan-2-yl)ethane-1,2-diimine;ruthenium(1+)
CID 159955538
1-(2,6-diethylphenyl)-N-(2,4-dimethylpentan-3-yl)methanimine
CID 58951906
N'-(1-methoxyethyl)-N-methylethane-1,2-diimine
CID 163808550
8-methylnon-3-ene
CID 54424784
(Z)-N-ethenyl-7-methyloct-2-en-1-imine
CID 170379878
N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]ethane-1,2-diimine
CID 148629310
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81-octacontamethyldooctacontane
CID 123517328
(E)-2,13-dimethyltetradec-7-ene
CID 176630990

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine?
The IUPAC name of N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine (CID 610573) is N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine?
The canonical SMILES for N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine is CC(C)C(/N=C/C=N/C(C(C)C)C(C)C)C(C)C.
What is the InChIKey of N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine?
The InChIKey is OPLJRHRBQBCCER-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H32N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h9-16H,1-8H3/b17-9+,18-10+.
What are the key properties of N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine?
N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine has a molecular weight of 252.45 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4-dimethylpentan-3-yl)ethane-1,2-diimine is sourced from PubChem (CID 610573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).