2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine

C13H23N — CID 139565636

IUPAC2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine
SMILESCC1CC=C(CCC2CN2)C(C)CC1
InChIInChI=1S/C13H23N/c1-10-3-5-11(2)12(6-4-10)7-8-13-9-14-13/h6,10-11,13-14H,3-5,7-9H2,1-2H3
InChIKeyRKMFMHKXOFYOMZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.12
Rot. Bonds3

About 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine

2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine (PubChem CID 139565636) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine.

Molecular Properties

Compound Name2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine
PubChem CID139565636
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine
SMILESCC1CC=C(CCC2CN2)C(C)CC1
InChIInChI=1S/C13H23N/c1-10-3-5-11(2)12(6-4-10)7-8-13-9-14-13/h6,10-11,13-14H,3-5,7-9H2,1-2H3
InChIKeyRKMFMHKXOFYOMZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine?
The IUPAC name of 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine (CID 139565636) is 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine.
What is the SMILES notation for 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine?
The canonical SMILES for 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine is CC1CC=C(CCC2CN2)C(C)CC1.
What is the InChIKey of 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine?
The InChIKey is RKMFMHKXOFYOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10-3-5-11(2)12(6-4-10)7-8-13-9-14-13/h6,10-11,13-14H,3-5,7-9H2,1-2H3.
What are the key properties of 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine?
2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine has a molecular weight of 193.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,7-dimethylcyclohepten-1-yl)ethyl]aziridine is sourced from PubChem (CID 139565636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).