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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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
2,3-Iminosqualene
CID 6438481
2-(3-Methylcyclohex-2-en-1-yl)aziridine
CID 163662650
2-(1-fluoro-5,7-dimethylnon-6-en-4-ylidene)-N-methyl-3-(2-methylpentyl)cyclopropan-1-amine
CID 123194306
2-fluoro-N,3-dimethyl-6-(4-methylpentyl)cyclohept-4-en-1-amine
CID 134389931
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
N,4-dimethyl-3-(trifluoromethyl)cyclohept-4-en-1-amine
CID 169901780
1-Methyl-4-propan-2-yl-7-azabicyclo[4.1.0]hept-3-ene
CID 154721477
2-Hept-5-en-3-yl-3-methylaziridine
CID 163675274
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-amine
CID 9979933
3-[(4R)-4-methylcyclohexen-1-yl]-N-propan-2-ylbutan-1-amine
CID 21158872
3-[(4S)-4-methylcyclohexen-1-yl]-N-propan-2-ylbutan-1-amine
CID 21158878

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).