2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine

C8H17N3 — CID 43121896

IUPAC2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine
SMILES[H]/N=C1\CCCN1CCN(C)C
InChIInChI=1S/C8H17N3/c1-10(2)6-7-11-5-3-4-8(11)9/h9H,3-7H2,1-2H3/b9-8+
InChIKeyGPSFBZDDKQCQSI-CMDGGOBGSA-N
MW155.25 g/mol
LogP0.62
Rot. Bonds3

About 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine

2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine (PubChem CID 43121896) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine
PubChem CID43121896
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine
SMILES[H]/N=C1\CCCN1CCN(C)C
InChIInChI=1S/C8H17N3/c1-10(2)6-7-11-5-3-4-8(11)9/h9H,3-7H2,1-2H3/b9-8+
InChIKeyGPSFBZDDKQCQSI-CMDGGOBGSA-N
XLogP0.62
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.62
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 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine (CID 43121896) is 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine is [H]/N=C1\CCCN1CCN(C)C.
What is the InChIKey of 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine?
The InChIKey is GPSFBZDDKQCQSI-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17N3/c1-10(2)6-7-11-5-3-4-8(11)9/h9H,3-7H2,1-2H3/b9-8+.
What are the key properties of 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine?
2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine has a molecular weight of 155.25 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopyrrolidin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 43121896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).