3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine

C10H18N2 — CID 89467579

IUPAC3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine
SMILES[H]/N=C(C)/C(CC)=N/C(C)=C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(8(4)11)12-9(5)7(2)3/h11H,6H2,1-5H3/b11-8+,12-10+
InChIKeyOQBRHXXILLVNDR-TXSAMIJNSA-N
MW166.27 g/mol
LogP3.19
Rot. Bonds3

About 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine

3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine (PubChem CID 89467579) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine.

Molecular Properties

Compound Name3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine
PubChem CID89467579
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine
SMILES[H]/N=C(C)/C(CC)=N/C(C)=C(C)C
InChIInChI=1S/C10H18N2/c1-6-10(8(4)11)12-9(5)7(2)3/h11H,6H2,1-5H3/b11-8+,12-10+
InChIKeyOQBRHXXILLVNDR-TXSAMIJNSA-N
XLogP3.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine?
The IUPAC name of 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine (CID 89467579) is 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine.
What is the SMILES notation for 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine?
The canonical SMILES for 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine is [H]/N=C(C)/C(CC)=N/C(C)=C(C)C.
What is the InChIKey of 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine?
The InChIKey is OQBRHXXILLVNDR-TXSAMIJNSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-10(8(4)11)12-9(5)7(2)3/h11H,6H2,1-5H3/b11-8+,12-10+.
What are the key properties of 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine?
3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine has a molecular weight of 166.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-methylbut-2-en-2-yl)pentane-2,3-diimine is sourced from PubChem (CID 89467579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).