2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine

C13H25N — CID 123294460

IUPAC2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine
SMILESCC(C)C1C(C)C1C(C)CN1CC1C
InChIInChI=1S/C13H25N/c1-8(2)12-11(5)13(12)9(3)6-14-7-10(14)4/h8-13H,6-7H2,1-5H3
InChIKeyAOAZZHKXQVAQAJ-UHFFFAOYSA-N
MW195.35 g/mol
LogP2.86
Rot. Bonds4

About 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine

2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine (PubChem CID 123294460) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine
PubChem CID123294460
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine
SMILESCC(C)C1C(C)C1C(C)CN1CC1C
InChIInChI=1S/C13H25N/c1-8(2)12-11(5)13(12)9(3)6-14-7-10(14)4/h8-13H,6-7H2,1-5H3
InChIKeyAOAZZHKXQVAQAJ-UHFFFAOYSA-N
XLogP2.86
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 52.86
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 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine?
The IUPAC name of 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine (CID 123294460) is 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine is CC(C)C1C(C)C1C(C)CN1CC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine?
The InChIKey is AOAZZHKXQVAQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-8(2)12-11(5)13(12)9(3)6-14-7-10(14)4/h8-13H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine?
2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine has a molecular weight of 195.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine is sourced from PubChem (CID 123294460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).