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

C16H25N — CID 19692100

IUPAC1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine
SMILESCCC1(C2(C3(C4(N5CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C16H25N/c1-2-13(3-4-13)14(5-6-14)15(7-8-15)16(9-10-16)17-11-12-17/h2-12H2,1H3
InChIKeyWCUCOKIOUSTJAS-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.59
Rot. Bonds5

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

1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine (PubChem CID 19692100) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine.

Molecular Properties

Compound Name1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine
PubChem CID19692100
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine
SMILESCCC1(C2(C3(C4(N5CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C16H25N/c1-2-13(3-4-13)14(5-6-14)15(7-8-15)16(9-10-16)17-11-12-17/h2-12H2,1H3
InChIKeyWCUCOKIOUSTJAS-UHFFFAOYSA-N
XLogP3.59
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.59
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-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
The IUPAC name of 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine (CID 19692100) is 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine.
What is the SMILES notation for 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
The canonical SMILES for 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine is CCC1(C2(C3(C4(N5CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
The InChIKey is WCUCOKIOUSTJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-13(3-4-13)14(5-6-14)15(7-8-15)16(9-10-16)17-11-12-17/h2-12H2,1H3.
What are the key properties of 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine?
1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine has a molecular weight of 231.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[1-(1-ethylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropyl]aziridine is sourced from PubChem (CID 19692100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).