2-(2-methylbutyl)-1-propan-2-ylaziridine

C10H21N — CID 91475367

IUPAC2-(2-methylbutyl)-1-propan-2-ylaziridine
SMILESCCC(C)CC1CN1C(C)C
InChIInChI=1S/C10H21N/c1-5-9(4)6-10-7-11(10)8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyXRFGGJFDMDGZIU-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-methylbutyl)-1-propan-2-ylaziridine

2-(2-methylbutyl)-1-propan-2-ylaziridine (PubChem CID 91475367) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-(2-methylbutyl)-1-propan-2-ylaziridine.

Molecular Properties

Compound Name2-(2-methylbutyl)-1-propan-2-ylaziridine
PubChem CID91475367
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-(2-methylbutyl)-1-propan-2-ylaziridine
SMILESCCC(C)CC1CN1C(C)C
InChIInChI=1S/C10H21N/c1-5-9(4)6-10-7-11(10)8(2)3/h8-10H,5-7H2,1-4H3
InChIKeyXRFGGJFDMDGZIU-UHFFFAOYSA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
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-(2-methylbutyl)-1-propan-2-ylaziridine?
The IUPAC name of 2-(2-methylbutyl)-1-propan-2-ylaziridine (CID 91475367) is 2-(2-methylbutyl)-1-propan-2-ylaziridine.
What is the SMILES notation for 2-(2-methylbutyl)-1-propan-2-ylaziridine?
The canonical SMILES for 2-(2-methylbutyl)-1-propan-2-ylaziridine is CCC(C)CC1CN1C(C)C.
What is the InChIKey of 2-(2-methylbutyl)-1-propan-2-ylaziridine?
The InChIKey is XRFGGJFDMDGZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-5-9(4)6-10-7-11(10)8(2)3/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(2-methylbutyl)-1-propan-2-ylaziridine?
2-(2-methylbutyl)-1-propan-2-ylaziridine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)-1-propan-2-ylaziridine is sourced from PubChem (CID 91475367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).