N-(2-methylprop-1-enyl)methanimine

C5H9N — CID 91078328

IUPACN-(2-methylprop-1-enyl)methanimine
SMILESC=NC=C(C)C
InChIInChI=1S/C5H9N/c1-5(2)4-6-3/h4H,3H2,1-2H3
InChIKeyMLUBVOOVWKZGHK-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.61
Rot. Bonds1

About N-(2-methylprop-1-enyl)methanimine

N-(2-methylprop-1-enyl)methanimine (PubChem CID 91078328) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-(2-methylprop-1-enyl)methanimine.

Molecular Properties

Compound NameN-(2-methylprop-1-enyl)methanimine
PubChem CID91078328
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-(2-methylprop-1-enyl)methanimine
SMILESC=NC=C(C)C
InChIInChI=1S/C5H9N/c1-5(2)4-6-3/h4H,3H2,1-2H3
InChIKeyMLUBVOOVWKZGHK-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.61
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

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-propylidene-(2-methylpropenylamine)
CID 12941767
N-(2-methylprop-1-enyl)ethanimine
CID 15632338
N-(2-methylprop-2-enyl)ethenimine
CID 20645418
N-(2-methylprop-2-enyl)methanimine
CID 20769493
N-methylidene-N'-(2-methylprop-1-enyl)methanimidamide
CID 88936329
N-(2-ethylbut-1-enyl)methanimine
CID 118048895
N-[(Z)-2-methylpent-1-enyl]methanimine
CID 118201327
Methyl-methylidene-(2-methylprop-1-enyl)azanium
CID 123283691
N-(2-methylbut-1-enyl)methanimine
CID 123446549
N-[(1Z)-2,3-dimethylbuta-1,3-dienyl]methanimine
CID 129019142

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-1-enyl)methanimine?
The IUPAC name of N-(2-methylprop-1-enyl)methanimine (CID 91078328) is N-(2-methylprop-1-enyl)methanimine.
What is the SMILES notation for N-(2-methylprop-1-enyl)methanimine?
The canonical SMILES for N-(2-methylprop-1-enyl)methanimine is C=NC=C(C)C.
What is the InChIKey of N-(2-methylprop-1-enyl)methanimine?
The InChIKey is MLUBVOOVWKZGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-5(2)4-6-3/h4H,3H2,1-2H3.
What are the key properties of N-(2-methylprop-1-enyl)methanimine?
N-(2-methylprop-1-enyl)methanimine has a molecular weight of 83.13 g/mol, XLogP of 1.61, 1 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)methanimine is sourced from PubChem (CID 91078328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).