1-(4-methylpent-4-enyl)aziridine

C8H15N — CID 163465690

IUPAC1-(4-methylpent-4-enyl)aziridine
SMILESC=C(C)CCCN1CC1
InChIInChI=1S/C8H15N/c1-8(2)4-3-5-9-6-7-9/h1,3-7H2,2H3
InChIKeyBSJWCBKYAQPPFZ-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-methylpent-4-enyl)aziridine

1-(4-methylpent-4-enyl)aziridine (PubChem CID 163465690) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 1-(4-methylpent-4-enyl)aziridine.

Molecular Properties

Compound Name1-(4-methylpent-4-enyl)aziridine
PubChem CID163465690
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name1-(4-methylpent-4-enyl)aziridine
SMILESC=C(C)CCCN1CC1
InChIInChI=1S/C8H15N/c1-8(2)4-3-5-9-6-7-9/h1,3-7H2,2H3
InChIKeyBSJWCBKYAQPPFZ-UHFFFAOYSA-N
XLogP1.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.66
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 1-(4-methylpent-4-enyl)aziridine?
The IUPAC name of 1-(4-methylpent-4-enyl)aziridine (CID 163465690) is 1-(4-methylpent-4-enyl)aziridine.
What is the SMILES notation for 1-(4-methylpent-4-enyl)aziridine?
The canonical SMILES for 1-(4-methylpent-4-enyl)aziridine is C=C(C)CCCN1CC1.
What is the InChIKey of 1-(4-methylpent-4-enyl)aziridine?
The InChIKey is BSJWCBKYAQPPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)4-3-5-9-6-7-9/h1,3-7H2,2H3.
What are the key properties of 1-(4-methylpent-4-enyl)aziridine?
1-(4-methylpent-4-enyl)aziridine has a molecular weight of 125.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-4-enyl)aziridine is sourced from PubChem (CID 163465690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).