1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine

C22H39N — CID 167017168

IUPAC1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine
SMILESCC(CC1CC(C2CCC2)C1)CC(C)C(C1CCCC1)N1CC1
InChIInChI=1S/C22H39N/c1-16(13-18-14-21(15-18)19-8-5-9-19)12-17(2)22(23-10-11-23)20-6-3-4-7-20/h16-22H,3-15H2,1-2H3
InChIKeyHKAXRVCNUBYPHH-UHFFFAOYSA-N
MW317.56 g/mol
LogP5.74
Rot. Bonds8

About 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine

1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine (PubChem CID 167017168) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine.

Molecular Properties

Compound Name1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine
PubChem CID167017168
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine
SMILESCC(CC1CC(C2CCC2)C1)CC(C)C(C1CCCC1)N1CC1
InChIInChI=1S/C22H39N/c1-16(13-18-14-21(15-18)19-8-5-9-19)12-17(2)22(23-10-11-23)20-6-3-4-7-20/h16-22H,3-15H2,1-2H3
InChIKeyHKAXRVCNUBYPHH-UHFFFAOYSA-N
XLogP5.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine?
The IUPAC name of 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine (CID 167017168) is 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine.
What is the SMILES notation for 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine?
The canonical SMILES for 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine is CC(CC1CC(C2CCC2)C1)CC(C)C(C1CCCC1)N1CC1.
What is the InChIKey of 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine?
The InChIKey is HKAXRVCNUBYPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N/c1-16(13-18-14-21(15-18)19-8-5-9-19)12-17(2)22(23-10-11-23)20-6-3-4-7-20/h16-22H,3-15H2,1-2H3.
What are the key properties of 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine?
1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine has a molecular weight of 317.56 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyclobutylcyclobutyl)-1-cyclopentyl-2,4-dimethylpentyl]aziridine is sourced from PubChem (CID 167017168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).