N-[(2S)-butan-2-yl]methanimine

C5H11N — CID 58664946

IUPACN-[(2S)-butan-2-yl]methanimine
SMILESC=N[C@@H](C)CC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyJHDKRSCOHOUICP-YFKPBYRVSA-N
MW85.15 g/mol
LogP1.49
Rot. Bonds2

About N-[(2S)-butan-2-yl]methanimine

N-[(2S)-butan-2-yl]methanimine (PubChem CID 58664946) has the molecular formula C5H11N and a molecular weight of 85.15 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]methanimine
PubChem CID58664946
Molecular FormulaC5H11N
Molecular Weight85.15 g/mol
Exact Mass85.09
IUPAC NameN-[(2S)-butan-2-yl]methanimine
SMILESC=N[C@@H](C)CC
InChIInChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyJHDKRSCOHOUICP-YFKPBYRVSA-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-[(2S)-butan-2-yl]methanimine?
The IUPAC name of N-[(2S)-butan-2-yl]methanimine (CID 58664946) is N-[(2S)-butan-2-yl]methanimine.
What is the SMILES notation for N-[(2S)-butan-2-yl]methanimine?
The canonical SMILES for N-[(2S)-butan-2-yl]methanimine is C=N[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]methanimine?
The InChIKey is JHDKRSCOHOUICP-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11N/c1-4-5(2)6-3/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]methanimine?
N-[(2S)-butan-2-yl]methanimine 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-[(2S)-butan-2-yl]methanimine is sourced from PubChem (CID 58664946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).