N-butan-2-ylmethanimine

C5H11N — CID 13220559

IUPACN-butan-2-ylmethanimine
SMILESC=NC(C)CC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3
InChIKeyJHDKRSCOHOUICP-UHFFFAOYSA-N
MW85.15 g/mol
LogP1.49
Rot. Bonds2

About N-butan-2-ylmethanimine

N-butan-2-ylmethanimine (PubChem CID 13220559) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is N-butan-2-ylmethanimine.

Molecular Properties

Compound NameN-butan-2-ylmethanimine
PubChem CID13220559
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC NameN-butan-2-ylmethanimine
SMILESC=NC(C)CC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3
InChIKeyJHDKRSCOHOUICP-UHFFFAOYSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.15
LogP ≤ 51.49
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-butan-2-ylmethanimine?
The IUPAC name of N-butan-2-ylmethanimine (CID 13220559) is N-butan-2-ylmethanimine.
What is the SMILES notation for N-butan-2-ylmethanimine?
The canonical SMILES for N-butan-2-ylmethanimine is C=NC(C)CC.
What is the InChIKey of N-butan-2-ylmethanimine?
The InChIKey is JHDKRSCOHOUICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3.
What are the key properties of N-butan-2-ylmethanimine?
N-butan-2-ylmethanimine has a molecular weight of 85.15 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylmethanimine is sourced from PubChem (CID 13220559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).