1-methyl-5-propan-2-ylpyrrolidin-2-imine

C8H16N2 — CID 166683871

IUPAC1-methyl-5-propan-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCC(C(C)C)N1C
InChIInChI=1S/C8H16N2/c1-6(2)7-4-5-8(9)10(7)3/h6-7,9H,4-5H2,1-3H3/b9-8+
InChIKeyPGINLKZGQNDWIT-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.71
Rot. Bonds1

About 1-methyl-5-propan-2-ylpyrrolidin-2-imine

1-methyl-5-propan-2-ylpyrrolidin-2-imine (PubChem CID 166683871) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylpyrrolidin-2-imine
PubChem CID166683871
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-methyl-5-propan-2-ylpyrrolidin-2-imine
SMILES[H]/N=C1\CCC(C(C)C)N1C
InChIInChI=1S/C8H16N2/c1-6(2)7-4-5-8(9)10(7)3/h6-7,9H,4-5H2,1-3H3/b9-8+
InChIKeyPGINLKZGQNDWIT-CMDGGOBGSA-N
XLogP1.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.71
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 1-methyl-5-propan-2-ylpyrrolidin-2-imine?
The IUPAC name of 1-methyl-5-propan-2-ylpyrrolidin-2-imine (CID 166683871) is 1-methyl-5-propan-2-ylpyrrolidin-2-imine.
What is the SMILES notation for 1-methyl-5-propan-2-ylpyrrolidin-2-imine?
The canonical SMILES for 1-methyl-5-propan-2-ylpyrrolidin-2-imine is [H]/N=C1\CCC(C(C)C)N1C.
What is the InChIKey of 1-methyl-5-propan-2-ylpyrrolidin-2-imine?
The InChIKey is PGINLKZGQNDWIT-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-6(2)7-4-5-8(9)10(7)3/h6-7,9H,4-5H2,1-3H3/b9-8+.
What are the key properties of 1-methyl-5-propan-2-ylpyrrolidin-2-imine?
1-methyl-5-propan-2-ylpyrrolidin-2-imine has a molecular weight of 140.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylpyrrolidin-2-imine is sourced from PubChem (CID 166683871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).