1-butan-2-yl-N-methylpyrrolidin-2-imine

C9H18N2 — CID 170197530

IUPAC1-butan-2-yl-N-methylpyrrolidin-2-imine
SMILESCCC(C)N1CCC/C1=N\C
InChIInChI=1S/C9H18N2/c1-4-8(2)11-7-5-6-9(11)10-3/h8H,4-7H2,1-3H3/b10-9+
InChIKeyJEIXCKALGNNVOK-MDZDMXLPSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds2

About 1-butan-2-yl-N-methylpyrrolidin-2-imine

1-butan-2-yl-N-methylpyrrolidin-2-imine (PubChem CID 170197530) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-butan-2-yl-N-methylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-butan-2-yl-N-methylpyrrolidin-2-imine
PubChem CID170197530
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-butan-2-yl-N-methylpyrrolidin-2-imine
SMILESCCC(C)N1CCC/C1=N\C
InChIInChI=1S/C9H18N2/c1-4-8(2)11-7-5-6-9(11)10-3/h8H,4-7H2,1-3H3/b10-9+
InChIKeyJEIXCKALGNNVOK-MDZDMXLPSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
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 1-butan-2-yl-N-methylpyrrolidin-2-imine?
The IUPAC name of 1-butan-2-yl-N-methylpyrrolidin-2-imine (CID 170197530) is 1-butan-2-yl-N-methylpyrrolidin-2-imine.
What is the SMILES notation for 1-butan-2-yl-N-methylpyrrolidin-2-imine?
The canonical SMILES for 1-butan-2-yl-N-methylpyrrolidin-2-imine is CCC(C)N1CCC/C1=N\C.
What is the InChIKey of 1-butan-2-yl-N-methylpyrrolidin-2-imine?
The InChIKey is JEIXCKALGNNVOK-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-8(2)11-7-5-6-9(11)10-3/h8H,4-7H2,1-3H3/b10-9+.
What are the key properties of 1-butan-2-yl-N-methylpyrrolidin-2-imine?
1-butan-2-yl-N-methylpyrrolidin-2-imine has a molecular weight of 154.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-methylpyrrolidin-2-imine is sourced from PubChem (CID 170197530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).