1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine

C16H29N — CID 139408435

IUPAC1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine
SMILESCCCCCCCC1CC2CCC1C2N1CC1
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-7-13-12-14-8-9-15(13)16(14)17-10-11-17/h13-16H,2-12H2,1H3
InChIKeyGMYAKUVJEHUMOY-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.08
Rot. Bonds7

About 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine

1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine (PubChem CID 139408435) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine.

Molecular Properties

Compound Name1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine
PubChem CID139408435
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine
SMILESCCCCCCCC1CC2CCC1C2N1CC1
InChIInChI=1S/C16H29N/c1-2-3-4-5-6-7-13-12-14-8-9-15(13)16(14)17-10-11-17/h13-16H,2-12H2,1H3
InChIKeyGMYAKUVJEHUMOY-UHFFFAOYSA-N
XLogP4.08
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine?
The IUPAC name of 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine (CID 139408435) is 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine.
What is the SMILES notation for 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine?
The canonical SMILES for 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine is CCCCCCCC1CC2CCC1C2N1CC1.
What is the InChIKey of 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine?
The InChIKey is GMYAKUVJEHUMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-4-5-6-7-13-12-14-8-9-15(13)16(14)17-10-11-17/h13-16H,2-12H2,1H3.
What are the key properties of 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine?
1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine has a molecular weight of 235.41 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptyl-7-bicyclo[2.2.1]heptanyl)aziridine is sourced from PubChem (CID 139408435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).