1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine

C15H28N2 — CID 155131261

IUPAC1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine
SMILESC=C(C)C1(C2NC2CCC)CCCN1C(C)C
InChIInChI=1S/C15H28N2/c1-6-8-13-14(16-13)15(11(2)3)9-7-10-17(15)12(4)5/h12-14,16H,2,6-10H2,1,3-5H3
InChIKeyGPONXEFLNUMKHO-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds5

About 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine

1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine (PubChem CID 155131261) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine
PubChem CID155131261
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine
SMILESC=C(C)C1(C2NC2CCC)CCCN1C(C)C
InChIInChI=1S/C15H28N2/c1-6-8-13-14(16-13)15(11(2)3)9-7-10-17(15)12(4)5/h12-14,16H,2,6-10H2,1,3-5H3
InChIKeyGPONXEFLNUMKHO-UHFFFAOYSA-N
XLogP2.95
TPSA25.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine?
The IUPAC name of 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine (CID 155131261) is 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine.
What is the SMILES notation for 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine?
The canonical SMILES for 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine is C=C(C)C1(C2NC2CCC)CCCN1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine?
The InChIKey is GPONXEFLNUMKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-6-8-13-14(16-13)15(11(2)3)9-7-10-17(15)12(4)5/h12-14,16H,2,6-10H2,1,3-5H3.
What are the key properties of 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine?
1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-prop-1-en-2-yl-2-(3-propylaziridin-2-yl)pyrrolidine is sourced from PubChem (CID 155131261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).