[2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine

C9H15N — CID 167028763

IUPAC[2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine
SMILES[H]/N=C/C1CC1C(C)(C)C=C
InChIInChI=1S/C9H15N/c1-4-9(2,3)8-5-7(8)6-10/h4,6-8,10H,1,5H2,2-3H3/b10-6+
InChIKeyIVUFGDGYVXVSSJ-UXBLZVDNSA-N
MW137.23 g/mol
LogP2.48
Rot. Bonds3

About [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine

[2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine (PubChem CID 167028763) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine.

Molecular Properties

Compound Name[2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine
PubChem CID167028763
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name[2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine
SMILES[H]/N=C/C1CC1C(C)(C)C=C
InChIInChI=1S/C9H15N/c1-4-9(2,3)8-5-7(8)6-10/h4,6-8,10H,1,5H2,2-3H3/b10-6+
InChIKeyIVUFGDGYVXVSSJ-UXBLZVDNSA-N
XLogP2.48
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine?
The IUPAC name of [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine (CID 167028763) is [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine.
What is the SMILES notation for [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine?
The canonical SMILES for [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine is [H]/N=C/C1CC1C(C)(C)C=C.
What is the InChIKey of [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine?
The InChIKey is IVUFGDGYVXVSSJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9(2,3)8-5-7(8)6-10/h4,6-8,10H,1,5H2,2-3H3/b10-6+.
What are the key properties of [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine?
[2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine has a molecular weight of 137.23 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbut-3-en-2-yl)cyclopropyl]methanimine is sourced from PubChem (CID 167028763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).