N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine

C8H13N — CID 163891853

IUPACN-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine
SMILESC=NC(C)C(C)C1C=C1
InChIInChI=1S/C8H13N/c1-6(7(2)9-3)8-4-5-8/h4-8H,3H2,1-2H3
InChIKeyQCFIUPZNWIHREL-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.90
Rot. Bonds3

About N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine

N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine (PubChem CID 163891853) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine.

Molecular Properties

Compound NameN-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine
PubChem CID163891853
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine
SMILESC=NC(C)C(C)C1C=C1
InChIInChI=1S/C8H13N/c1-6(7(2)9-3)8-4-5-8/h4-8H,3H2,1-2H3
InChIKeyQCFIUPZNWIHREL-UHFFFAOYSA-N
XLogP1.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine?
The IUPAC name of N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine (CID 163891853) is N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine.
What is the SMILES notation for N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine?
The canonical SMILES for N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine is C=NC(C)C(C)C1C=C1.
What is the InChIKey of N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine?
The InChIKey is QCFIUPZNWIHREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(7(2)9-3)8-4-5-8/h4-8H,3H2,1-2H3.
What are the key properties of N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine?
N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine has a molecular weight of 123.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cycloprop-2-en-1-ylbutan-2-yl)methanimine is sourced from PubChem (CID 163891853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).