N-(2-methylprop-1-enyl)butan-2-imine

C8H15N — CID 90916248

IUPACN-(2-methylprop-1-enyl)butan-2-imine
SMILESCC/C(C)=N/C=C(C)C
InChIInChI=1S/C8H15N/c1-5-8(4)9-6-7(2)3/h6H,5H2,1-4H3/b9-8+
InChIKeyYUIRUMFPBSETFM-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds2

About N-(2-methylprop-1-enyl)butan-2-imine

N-(2-methylprop-1-enyl)butan-2-imine (PubChem CID 90916248) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)butan-2-imine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)butan-2-imine
PubChem CID90916248
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-(2-methylprop-1-enyl)butan-2-imine
SMILESCC/C(C)=N/C=C(C)C
InChIInChI=1S/C8H15N/c1-5-8(4)9-6-7(2)3/h6H,5H2,1-4H3/b9-8+
InChIKeyYUIRUMFPBSETFM-CMDGGOBGSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propenylamine, N-isobutylidene-2-methyl-
CID 220593
Isobutenylbutylidenamin
CID 90805047
1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
CID 143956271
2-Methyl-N-(1-methylethylidene)-1-propen-1-amine
CID 20436138
N-cyclohexylidene-(2-methylpropenylamine)
CID 20436157
3-methyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 57823839
N-[(E)-2-methylbut-1-enyl]butan-2-imine
CID 89324556
3-N-(2-methylprop-1-enyl)butane-2,3-diimine
CID 89671915
N-(2-methylprop-1-enyl)pentan-3-imine
CID 90823317
N-(2-methylbut-1-enyl)propan-2-imine
CID 91106736
N-[2-methyl-3-(methylideneamino)prop-1-enyl]propan-2-imine
CID 91194603
N-[(E)-2,3-dimethylbut-1-enyl]-3-methylbutan-2-imine
CID 126570524

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)butan-2-imine?
The IUPAC name of N-(2-methylprop-1-enyl)butan-2-imine (CID 90916248) is N-(2-methylprop-1-enyl)butan-2-imine.
What is the SMILES notation for N-(2-methylprop-1-enyl)butan-2-imine?
The canonical SMILES for N-(2-methylprop-1-enyl)butan-2-imine is CC/C(C)=N/C=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)butan-2-imine?
The InChIKey is YUIRUMFPBSETFM-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-5-8(4)9-6-7(2)3/h6H,5H2,1-4H3/b9-8+.
What are the key properties of N-(2-methylprop-1-enyl)butan-2-imine?
N-(2-methylprop-1-enyl)butan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-1-enyl)butan-2-imine is sourced from PubChem (CID 90916248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).