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

C6H11N — CID 123446549

IUPACN-(2-methylbut-1-enyl)methanimine
SMILESC=NC=C(C)CC
InChIInChI=1S/C6H11N/c1-4-6(2)5-7-3/h5H,3-4H2,1-2H3
InChIKeyTXBSRZQRFLQJIW-UHFFFAOYSA-N
MW97.16 g/mol
LogP2.00
Rot. Bonds2

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

N-(2-methylbut-1-enyl)methanimine (PubChem CID 123446549) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-(2-methylbut-1-enyl)methanimine.

Molecular Properties

Compound NameN-(2-methylbut-1-enyl)methanimine
PubChem CID123446549
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-(2-methylbut-1-enyl)methanimine
SMILESC=NC=C(C)CC
InChIInChI=1S/C6H11N/c1-4-6(2)5-7-3/h5H,3-4H2,1-2H3
InChIKeyTXBSRZQRFLQJIW-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-1-enyl)methanimine?
The IUPAC name of N-(2-methylbut-1-enyl)methanimine (CID 123446549) is N-(2-methylbut-1-enyl)methanimine.
What is the SMILES notation for N-(2-methylbut-1-enyl)methanimine?
The canonical SMILES for N-(2-methylbut-1-enyl)methanimine is C=NC=C(C)CC.
What is the InChIKey of N-(2-methylbut-1-enyl)methanimine?
The InChIKey is TXBSRZQRFLQJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6(2)5-7-3/h5H,3-4H2,1-2H3.
What are the key properties of N-(2-methylbut-1-enyl)methanimine?
N-(2-methylbut-1-enyl)methanimine has a molecular weight of 97.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-1-enyl)methanimine is sourced from PubChem (CID 123446549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).