4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine

C8H15N3 — CID 91091672

IUPAC4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine
SMILESC/N=C1\CNCC1/C(C)=N/C
InChIInChI=1S/C8H15N3/c1-6(9-2)7-4-11-5-8(7)10-3/h7,11H,4-5H2,1-3H3/b9-6+,10-8+
InChIKeyRTTBIEMNKOESQS-OAMUUVBCSA-N
MW153.23 g/mol
LogP0.37
Rot. Bonds1

About 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine

4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine (PubChem CID 91091672) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine.

Molecular Properties

Compound Name4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine
PubChem CID91091672
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine
SMILESC/N=C1\CNCC1/C(C)=N/C
InChIInChI=1S/C8H15N3/c1-6(9-2)7-4-11-5-8(7)10-3/h7,11H,4-5H2,1-3H3/b9-6+,10-8+
InChIKeyRTTBIEMNKOESQS-OAMUUVBCSA-N
XLogP0.37
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine?
The IUPAC name of 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine (CID 91091672) is 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine.
What is the SMILES notation for 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine?
The canonical SMILES for 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine is C/N=C1\CNCC1/C(C)=N/C.
What is the InChIKey of 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine?
The InChIKey is RTTBIEMNKOESQS-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9-2)7-4-11-5-8(7)10-3/h7,11H,4-5H2,1-3H3/b9-6+,10-8+.
What are the key properties of 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine?
4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine has a molecular weight of 153.23 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-dimethylcarbonimidoyl)-N-methylpyrrolidin-3-imine is sourced from PubChem (CID 91091672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).