[(2S)-2-methylcyclopropyl]methanimine

C5H9N — CID 147736127

IUPAC[(2S)-2-methylcyclopropyl]methanimine
SMILES[H]/N=C/C1C[C@@H]1C
InChIInChI=1S/C5H9N/c1-4-2-5(4)3-6/h3-6H,2H2,1H3/b6-3+/t4-,5?/m0/s1
InChIKeyGZKARCGCVGAAHR-DQSVUWNISA-N
MW83.13 g/mol
LogP1.29
Rot. Bonds1

About [(2S)-2-methylcyclopropyl]methanimine

[(2S)-2-methylcyclopropyl]methanimine (PubChem CID 147736127) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is [(2S)-2-methylcyclopropyl]methanimine.

Molecular Properties

Compound Name[(2S)-2-methylcyclopropyl]methanimine
PubChem CID147736127
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name[(2S)-2-methylcyclopropyl]methanimine
SMILES[H]/N=C/C1C[C@@H]1C
InChIInChI=1S/C5H9N/c1-4-2-5(4)3-6/h3-6H,2H2,1H3/b6-3+/t4-,5?/m0/s1
InChIKeyGZKARCGCVGAAHR-DQSVUWNISA-N
XLogP1.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.29
H-Bond Donors ≤ 51
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 [(2S)-2-methylcyclopropyl]methanimine?
The IUPAC name of [(2S)-2-methylcyclopropyl]methanimine (CID 147736127) is [(2S)-2-methylcyclopropyl]methanimine.
What is the SMILES notation for [(2S)-2-methylcyclopropyl]methanimine?
The canonical SMILES for [(2S)-2-methylcyclopropyl]methanimine is [H]/N=C/C1C[C@@H]1C.
What is the InChIKey of [(2S)-2-methylcyclopropyl]methanimine?
The InChIKey is GZKARCGCVGAAHR-DQSVUWNISA-N. The full InChI is InChI=1S/C5H9N/c1-4-2-5(4)3-6/h3-6H,2H2,1H3/b6-3+/t4-,5?/m0/s1.
What are the key properties of [(2S)-2-methylcyclopropyl]methanimine?
[(2S)-2-methylcyclopropyl]methanimine has a molecular weight of 83.13 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methylcyclopropyl]methanimine is sourced from PubChem (CID 147736127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).