1,4,4-trimethylpyrrolidin-3-imine

C7H14N2 — CID 123273210

IUPAC1,4,4-trimethylpyrrolidin-3-imine
SMILES[H]/N=C1\CN(C)CC1(C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-9(3)4-6(7)8/h8H,4-5H2,1-3H3/b8-6+
InChIKeyFRZONKGWVUKWQG-SOFGYWHQSA-N
MW126.20 g/mol
LogP0.98
Rot. Bonds

About 1,4,4-trimethylpyrrolidin-3-imine

1,4,4-trimethylpyrrolidin-3-imine (PubChem CID 123273210) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,4,4-trimethylpyrrolidin-3-imine.

Molecular Properties

Compound Name1,4,4-trimethylpyrrolidin-3-imine
PubChem CID123273210
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,4,4-trimethylpyrrolidin-3-imine
SMILES[H]/N=C1\CN(C)CC1(C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-9(3)4-6(7)8/h8H,4-5H2,1-3H3/b8-6+
InChIKeyFRZONKGWVUKWQG-SOFGYWHQSA-N
XLogP0.98
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
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 1,4,4-trimethylpyrrolidin-3-imine?
The IUPAC name of 1,4,4-trimethylpyrrolidin-3-imine (CID 123273210) is 1,4,4-trimethylpyrrolidin-3-imine.
What is the SMILES notation for 1,4,4-trimethylpyrrolidin-3-imine?
The canonical SMILES for 1,4,4-trimethylpyrrolidin-3-imine is [H]/N=C1\CN(C)CC1(C)C.
What is the InChIKey of 1,4,4-trimethylpyrrolidin-3-imine?
The InChIKey is FRZONKGWVUKWQG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)5-9(3)4-6(7)8/h8H,4-5H2,1-3H3/b8-6+.
What are the key properties of 1,4,4-trimethylpyrrolidin-3-imine?
1,4,4-trimethylpyrrolidin-3-imine has a molecular weight of 126.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethylpyrrolidin-3-imine is sourced from PubChem (CID 123273210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).