2-(5-methylidenedec-1-en-4-yl)aziridine

C13H23N — CID 87336330

IUPAC2-(5-methylidenedec-1-en-4-yl)aziridine
SMILESC=CCC(C(=C)CCCCC)C1CN1
InChIInChI=1S/C13H23N/c1-4-6-7-9-11(3)12(8-5-2)13-10-14-13/h5,12-14H,2-4,6-10H2,1H3
InChIKeyVELPFKHBOBUCMT-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.29
Rot. Bonds8

About 2-(5-methylidenedec-1-en-4-yl)aziridine

2-(5-methylidenedec-1-en-4-yl)aziridine (PubChem CID 87336330) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-(5-methylidenedec-1-en-4-yl)aziridine.

Molecular Properties

Compound Name2-(5-methylidenedec-1-en-4-yl)aziridine
PubChem CID87336330
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-(5-methylidenedec-1-en-4-yl)aziridine
SMILESC=CCC(C(=C)CCCCC)C1CN1
InChIInChI=1S/C13H23N/c1-4-6-7-9-11(3)12(8-5-2)13-10-14-13/h5,12-14H,2-4,6-10H2,1H3
InChIKeyVELPFKHBOBUCMT-UHFFFAOYSA-N
XLogP3.29
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(5-methylidenedec-1-en-4-yl)aziridine?
The IUPAC name of 2-(5-methylidenedec-1-en-4-yl)aziridine (CID 87336330) is 2-(5-methylidenedec-1-en-4-yl)aziridine.
What is the SMILES notation for 2-(5-methylidenedec-1-en-4-yl)aziridine?
The canonical SMILES for 2-(5-methylidenedec-1-en-4-yl)aziridine is C=CCC(C(=C)CCCCC)C1CN1.
What is the InChIKey of 2-(5-methylidenedec-1-en-4-yl)aziridine?
The InChIKey is VELPFKHBOBUCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-7-9-11(3)12(8-5-2)13-10-14-13/h5,12-14H,2-4,6-10H2,1H3.
What are the key properties of 2-(5-methylidenedec-1-en-4-yl)aziridine?
2-(5-methylidenedec-1-en-4-yl)aziridine has a molecular weight of 193.33 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylidenedec-1-en-4-yl)aziridine is sourced from PubChem (CID 87336330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).