2-(1-adamantyl)aziridine

C12H19N — CID 118589870

IUPAC2-(1-adamantyl)aziridine
SMILESC1C2CC3CC1CC(C1CN1)(C2)C3
InChIInChI=1S/C12H19N/c1-8-2-10-3-9(1)5-12(4-8,6-10)11-7-13-11/h8-11,13H,1-7H2
InChIKeyGTVLRRSFIOOAMC-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.17
Rot. Bonds1

About 2-(1-adamantyl)aziridine

2-(1-adamantyl)aziridine (PubChem CID 118589870) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(1-adamantyl)aziridine.

Molecular Properties

Compound Name2-(1-adamantyl)aziridine
PubChem CID118589870
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(1-adamantyl)aziridine
SMILESC1C2CC3CC1CC(C1CN1)(C2)C3
InChIInChI=1S/C12H19N/c1-8-2-10-3-9(1)5-12(4-8,6-10)11-7-13-11/h8-11,13H,1-7H2
InChIKeyGTVLRRSFIOOAMC-UHFFFAOYSA-N
XLogP2.17
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bicyclo[2.2.1]heptanyl)aziridine
CID 87666831
(2R)-2-(1-adamantyl)piperidine
CID 7236721
6-azatetracyclo[6.3.1.03,10.05,10]dodecane
CID 163941140
3-(1-adamantyl)-1,4-thiazepane 1-oxide
CID 66219264
adamantane;1-methyladamantane
CID 53425859
1,2-bis(1-adamantyl)imidazolidine
CID 66808688
(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride
CID 155859082
(4S)-1-acetyl-4-(1-adamantyl)imidazolidin-2-one
CID 101074839
(2E,5R,7S)-1-methyl-2-[(5R,7S)-1-methyl-2-adamantylidene]adamantane
CID 101019759
2-(1-adamantyl)-1,3-dithiane
CID 11322792
3-azabicyclo[3.1.1]heptane;ethane
CID 144510440
Adamantylsilicone
CID 18798576

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)aziridine?
The IUPAC name of 2-(1-adamantyl)aziridine (CID 118589870) is 2-(1-adamantyl)aziridine.
What is the SMILES notation for 2-(1-adamantyl)aziridine?
The canonical SMILES for 2-(1-adamantyl)aziridine is C1C2CC3CC1CC(C1CN1)(C2)C3.
What is the InChIKey of 2-(1-adamantyl)aziridine?
The InChIKey is GTVLRRSFIOOAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-8-2-10-3-9(1)5-12(4-8,6-10)11-7-13-11/h8-11,13H,1-7H2.
What are the key properties of 2-(1-adamantyl)aziridine?
2-(1-adamantyl)aziridine has a molecular weight of 177.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)aziridine is sourced from PubChem (CID 118589870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).