[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine

C6H12N2 — CID 89393755

IUPAC[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine
SMILES[H]/N=C/[C@@H]1C[C@H](C)CN1
InChIInChI=1S/C6H12N2/c1-5-2-6(3-7)8-4-5/h3,5-8H,2,4H2,1H3/b7-3+/t5-,6-/m0/s1
InChIKeyLHQQDSALARLOBX-ZKNKFSEWSA-N
MW112.18 g/mol
LogP0.63
Rot. Bonds1

About [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine

[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine (PubChem CID 89393755) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine.

Molecular Properties

Compound Name[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine
PubChem CID89393755
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine
SMILES[H]/N=C/[C@@H]1C[C@H](C)CN1
InChIInChI=1S/C6H12N2/c1-5-2-6(3-7)8-4-5/h3,5-8H,2,4H2,1H3/b7-3+/t5-,6-/m0/s1
InChIKeyLHQQDSALARLOBX-ZKNKFSEWSA-N
XLogP0.63
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,4S)-4-methylpyrrolidin-2-yl]methanimine?
The IUPAC name of [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine (CID 89393755) is [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine.
What is the SMILES notation for [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine?
The canonical SMILES for [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine is [H]/N=C/[C@@H]1C[C@H](C)CN1.
What is the InChIKey of [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine?
The InChIKey is LHQQDSALARLOBX-ZKNKFSEWSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-2-6(3-7)8-4-5/h3,5-8H,2,4H2,1H3/b7-3+/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine?
[(2S,4S)-4-methylpyrrolidin-2-yl]methanimine has a molecular weight of 112.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methylpyrrolidin-2-yl]methanimine is sourced from PubChem (CID 89393755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).