1-N,3-N,4,4-tetramethylpentane-1,3-diimine

C9H18N2 — CID 123584281

IUPAC1-N,3-N,4,4-tetramethylpentane-1,3-diimine
SMILESC/N=C/C/C(=N\C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-9(2,3)8(11-5)6-7-10-4/h7H,6H2,1-5H3/b10-7+,11-8+
InChIKeyWKKMUYIJKRFOBM-AMMQDNIMSA-N
MW154.26 g/mol
LogP2.19
Rot. Bonds2

About 1-N,3-N,4,4-tetramethylpentane-1,3-diimine

1-N,3-N,4,4-tetramethylpentane-1,3-diimine (PubChem CID 123584281) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N,3-N,4,4-tetramethylpentane-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N,4,4-tetramethylpentane-1,3-diimine
PubChem CID123584281
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N,3-N,4,4-tetramethylpentane-1,3-diimine
SMILESC/N=C/C/C(=N\C)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-9(2,3)8(11-5)6-7-10-4/h7H,6H2,1-5H3/b10-7+,11-8+
InChIKeyWKKMUYIJKRFOBM-AMMQDNIMSA-N
XLogP2.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.19
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

2-methyl-2,5-di-tert.-butyl-2H-imidazol
CID 10679367
Di-t-butyl-1,4-diazabuta-diene
CID 21621501
3,3-dimethyl-N-propan-2-ylbutan-1-imine
CID 101148358
(2S)-2,4-ditert-butyl-2-methylimidazole
CID 5325307
N-tert-butyl-3,3-dimethylbutan-1-imine
CID 12092707
N-(2,4,4-trimethylpentan-2-yl)ethanimine
CID 13220560
N-tert-butyl-2,2-dimethylhexan-1-imine
CID 14516368
N-(2,4,4-trimethylpentan-2-yl)hexan-1-imine
CID 17835300
2-N,4-N,3,3-tetramethylpentane-2,4-diimine
CID 18723820
N,4,4-trimethylpentan-2-imine
CID 21720062
N,2,2,4-tetramethylpentan-3-imine
CID 58038591
4-tert-butyl-2-methyl-2H-imidazole
CID 58186444

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,4,4-tetramethylpentane-1,3-diimine?
The IUPAC name of 1-N,3-N,4,4-tetramethylpentane-1,3-diimine (CID 123584281) is 1-N,3-N,4,4-tetramethylpentane-1,3-diimine.
What is the SMILES notation for 1-N,3-N,4,4-tetramethylpentane-1,3-diimine?
The canonical SMILES for 1-N,3-N,4,4-tetramethylpentane-1,3-diimine is C/N=C/C/C(=N\C)C(C)(C)C.
What is the InChIKey of 1-N,3-N,4,4-tetramethylpentane-1,3-diimine?
The InChIKey is WKKMUYIJKRFOBM-AMMQDNIMSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)8(11-5)6-7-10-4/h7H,6H2,1-5H3/b10-7+,11-8+.
What are the key properties of 1-N,3-N,4,4-tetramethylpentane-1,3-diimine?
1-N,3-N,4,4-tetramethylpentane-1,3-diimine has a molecular weight of 154.26 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,4,4-tetramethylpentane-1,3-diimine is sourced from PubChem (CID 123584281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).