1,3-dimethylpyrrolidin-2-imine

C6H12N2 — CID 154249438

IUPAC1,3-dimethylpyrrolidin-2-imine
SMILES[H]/N=C1/C(C)CCN1C
InChIInChI=1S/C6H12N2/c1-5-3-4-8(2)6(5)7/h5,7H,3-4H2,1-2H3/b7-6-
InChIKeyKILFDSZZBGERNF-SREVYHEPSA-N
MW112.18 g/mol
LogP0.94
Rot. Bonds

About 1,3-dimethylpyrrolidin-2-imine

1,3-dimethylpyrrolidin-2-imine (PubChem CID 154249438) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1,3-dimethylpyrrolidin-2-imine.

Molecular Properties

Compound Name1,3-dimethylpyrrolidin-2-imine
PubChem CID154249438
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1,3-dimethylpyrrolidin-2-imine
SMILES[H]/N=C1/C(C)CCN1C
InChIInChI=1S/C6H12N2/c1-5-3-4-8(2)6(5)7/h5,7H,3-4H2,1-2H3/b7-6-
InChIKeyKILFDSZZBGERNF-SREVYHEPSA-N
XLogP0.94
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.94
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 1,3-dimethylpyrrolidin-2-imine?
The IUPAC name of 1,3-dimethylpyrrolidin-2-imine (CID 154249438) is 1,3-dimethylpyrrolidin-2-imine.
What is the SMILES notation for 1,3-dimethylpyrrolidin-2-imine?
The canonical SMILES for 1,3-dimethylpyrrolidin-2-imine is [H]/N=C1/C(C)CCN1C.
What is the InChIKey of 1,3-dimethylpyrrolidin-2-imine?
The InChIKey is KILFDSZZBGERNF-SREVYHEPSA-N. The full InChI is InChI=1S/C6H12N2/c1-5-3-4-8(2)6(5)7/h5,7H,3-4H2,1-2H3/b7-6-.
What are the key properties of 1,3-dimethylpyrrolidin-2-imine?
1,3-dimethylpyrrolidin-2-imine has a molecular weight of 112.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrrolidin-2-imine is sourced from PubChem (CID 154249438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).