2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine

C10H20N2 — CID 166893446

IUPAC2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine
SMILESC=CC1(CCN(C)C)CCCN1
InChIInChI=1S/C10H20N2/c1-4-10(6-5-8-11-10)7-9-12(2)3/h4,11H,1,5-9H2,2-3H3
InChIKeyMKSPTFLADCSELQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine

2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine (PubChem CID 166893446) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine
PubChem CID166893446
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine
SMILESC=CC1(CCN(C)C)CCCN1
InChIInChI=1S/C10H20N2/c1-4-10(6-5-8-11-10)7-9-12(2)3/h4,11H,1,5-9H2,2-3H3
InChIKeyMKSPTFLADCSELQ-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine (CID 166893446) is 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine is C=CC1(CCN(C)C)CCCN1.
What is the InChIKey of 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine?
The InChIKey is MKSPTFLADCSELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-10(6-5-8-11-10)7-9-12(2)3/h4,11H,1,5-9H2,2-3H3.
What are the key properties of 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine?
2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylpyrrolidin-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 166893446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).