3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine

C10H18N2 — CID 130439432

IUPAC3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine
SMILESC=C(CC)/N=C(CC)/C(C)=N/C
InChIInChI=1S/C10H18N2/c1-6-8(3)12-10(7-2)9(4)11-5/h3,6-7H2,1-2,4-5H3/b11-9+,12-10+
InChIKeyPADVZHJCRDGUKL-WGDLNXRISA-N
MW166.27 g/mol
LogP2.85
Rot. Bonds4

About 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine

3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine (PubChem CID 130439432) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine.

Molecular Properties

Compound Name3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine
PubChem CID130439432
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine
SMILESC=C(CC)/N=C(CC)/C(C)=N/C
InChIInChI=1S/C10H18N2/c1-6-8(3)12-10(7-2)9(4)11-5/h3,6-7H2,1-2,4-5H3/b11-9+,12-10+
InChIKeyPADVZHJCRDGUKL-WGDLNXRISA-N
XLogP2.85
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
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-but-1-en-2-yl-2-N-methylpentane-2,3-diimine?
The IUPAC name of 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine (CID 130439432) is 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine.
What is the SMILES notation for 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine?
The canonical SMILES for 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine is C=C(CC)/N=C(CC)/C(C)=N/C.
What is the InChIKey of 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine?
The InChIKey is PADVZHJCRDGUKL-WGDLNXRISA-N. The full InChI is InChI=1S/C10H18N2/c1-6-8(3)12-10(7-2)9(4)11-5/h3,6-7H2,1-2,4-5H3/b11-9+,12-10+.
What are the key properties of 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine?
3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine has a molecular weight of 166.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-but-1-en-2-yl-2-N-methylpentane-2,3-diimine is sourced from PubChem (CID 130439432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).