1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine

C13H24N2 — CID 167056633

IUPAC1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine
SMILESC=C(/N=C/C(=N\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(2,3)4)15-9-11(14-8)13(5,6)7/h9H,1H2,2-8H3/b14-11+,15-9+
InChIKeyFXAUKHLFXYJMSV-SROZLARBSA-N
MW208.35 g/mol
LogP3.73
Rot. Bonds2

About 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine

1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine (PubChem CID 167056633) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine.

Molecular Properties

Compound Name1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine
PubChem CID167056633
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine
SMILESC=C(/N=C/C(=N\C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(2,3)4)15-9-11(14-8)13(5,6)7/h9H,1H2,2-8H3/b14-11+,15-9+
InChIKeyFXAUKHLFXYJMSV-SROZLARBSA-N
XLogP3.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine?
The IUPAC name of 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine (CID 167056633) is 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine.
What is the SMILES notation for 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine?
The canonical SMILES for 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine is C=C(/N=C/C(=N\C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine?
The InChIKey is FXAUKHLFXYJMSV-SROZLARBSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(12(2,3)4)15-9-11(14-8)13(5,6)7/h9H,1H2,2-8H3/b14-11+,15-9+.
What are the key properties of 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine?
1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3-dimethylbut-1-en-2-yl)-2-N,3,3-trimethylbutane-1,2-diimine is sourced from PubChem (CID 167056633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).