1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine

C13H21N — CID 22315816

IUPAC1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine
SMILESCCC1(C2(C3(N4CC4)CC3)CC2)CC1
InChIInChI=1S/C13H21N/c1-2-11(3-4-11)12(5-6-12)13(7-8-13)14-9-10-14/h2-10H2,1H3
InChIKeyVETUIHWDAMAPNN-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.81
Rot. Bonds4

About 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine

1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine (PubChem CID 22315816) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine.

Molecular Properties

Compound Name1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine
PubChem CID22315816
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine
SMILESCCC1(C2(C3(N4CC4)CC3)CC2)CC1
InChIInChI=1S/C13H21N/c1-2-11(3-4-11)12(5-6-12)13(7-8-13)14-9-10-14/h2-10H2,1H3
InChIKeyVETUIHWDAMAPNN-UHFFFAOYSA-N
XLogP2.81
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.81
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-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine?
The IUPAC name of 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine (CID 22315816) is 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine.
What is the SMILES notation for 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine?
The canonical SMILES for 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine is CCC1(C2(C3(N4CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine?
The InChIKey is VETUIHWDAMAPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-2-11(3-4-11)12(5-6-12)13(7-8-13)14-9-10-14/h2-10H2,1H3.
What are the key properties of 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine?
1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine has a molecular weight of 191.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]aziridine is sourced from PubChem (CID 22315816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).