2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine

C18H27N — CID 102459767

IUPAC2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine
SMILESC=CCC1(CN2CC2C=C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27N/c1-3-5-18(12-19-11-17(19)4-2)15-7-13-6-14(9-15)10-16(18)8-13/h3-4,13-17H,1-2,5-12H2
InChIKeyLFDCVZXWQSIJSM-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.88
Rot. Bonds5

About 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine

2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine (PubChem CID 102459767) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine.

Molecular Properties

Compound Name2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine
PubChem CID102459767
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine
SMILESC=CCC1(CN2CC2C=C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27N/c1-3-5-18(12-19-11-17(19)4-2)15-7-13-6-14(9-15)10-16(18)8-13/h3-4,13-17H,1-2,5-12H2
InChIKeyLFDCVZXWQSIJSM-UHFFFAOYSA-N
XLogP3.88
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine?
The IUPAC name of 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine (CID 102459767) is 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine.
What is the SMILES notation for 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine?
The canonical SMILES for 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine is C=CCC1(CN2CC2C=C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine?
The InChIKey is LFDCVZXWQSIJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-3-5-18(12-19-11-17(19)4-2)15-7-13-6-14(9-15)10-16(18)8-13/h3-4,13-17H,1-2,5-12H2.
What are the key properties of 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine?
2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine has a molecular weight of 257.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-[(2-prop-2-enyl-2-adamantyl)methyl]aziridine is sourced from PubChem (CID 102459767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).