3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine

C10H20N2 — CID 167062111

IUPAC3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine
SMILESC=CCCC1(NC)CCN(C)C1
InChIInChI=1S/C10H20N2/c1-4-5-6-10(11-2)7-8-12(3)9-10/h4,11H,1,5-9H2,2-3H3
InChIKeyRMIFKRMDKLNKJZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine

3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine (PubChem CID 167062111) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine
PubChem CID167062111
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine
SMILESC=CCCC1(NC)CCN(C)C1
InChIInChI=1S/C10H20N2/c1-4-5-6-10(11-2)7-8-12(3)9-10/h4,11H,1,5-9H2,2-3H3
InChIKeyRMIFKRMDKLNKJZ-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 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine (CID 167062111) is 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine is C=CCCC1(NC)CCN(C)C1.
What is the InChIKey of 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is RMIFKRMDKLNKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-6-10(11-2)7-8-12(3)9-10/h4,11H,1,5-9H2,2-3H3.
What are the key properties of 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine?
3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine 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 3-but-3-enyl-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 167062111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).