5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine

C10H20N2 — CID 154985843

IUPAC5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine
SMILESC=C(CC)C1CCC(C)(C)N1N
InChIInChI=1S/C10H20N2/c1-5-8(2)9-6-7-10(3,4)12(9)11/h9H,2,5-7,11H2,1,3-4H3
InChIKeyXSZNWCDBAPDUEV-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.07
Rot. Bonds2

About 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine

5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine (PubChem CID 154985843) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine.

Molecular Properties

Compound Name5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine
PubChem CID154985843
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine
SMILESC=C(CC)C1CCC(C)(C)N1N
InChIInChI=1S/C10H20N2/c1-5-8(2)9-6-7-10(3,4)12(9)11/h9H,2,5-7,11H2,1,3-4H3
InChIKeyXSZNWCDBAPDUEV-UHFFFAOYSA-N
XLogP2.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine?
The IUPAC name of 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine (CID 154985843) is 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine.
What is the SMILES notation for 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine?
The canonical SMILES for 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine is C=C(CC)C1CCC(C)(C)N1N.
What is the InChIKey of 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine?
The InChIKey is XSZNWCDBAPDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-8(2)9-6-7-10(3,4)12(9)11/h9H,2,5-7,11H2,1,3-4H3.
What are the key properties of 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine?
5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine has a molecular weight of 168.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-1-en-2-yl-2,2-dimethylpyrrolidin-1-amine is sourced from PubChem (CID 154985843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).