3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine

C11H23NO — CID 155055696

IUPAC3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine
SMILESCC(C)NC1OC1C(C)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-7(2)12-10-9(13-10)8(3)11(4,5)6/h7-10,12H,1-6H3
InChIKeyOQOGQCQRQAQMIS-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.39
Rot. Bonds3

About 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine

3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine (PubChem CID 155055696) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine
PubChem CID155055696
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine
SMILESCC(C)NC1OC1C(C)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-7(2)12-10-9(13-10)8(3)11(4,5)6/h7-10,12H,1-6H3
InChIKeyOQOGQCQRQAQMIS-UHFFFAOYSA-N
XLogP2.39
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine (CID 155055696) is 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine is CC(C)NC1OC1C(C)C(C)(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine?
The InChIKey is OQOGQCQRQAQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-7(2)12-10-9(13-10)8(3)11(4,5)6/h7-10,12H,1-6H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine?
3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-N-propan-2-yloxiran-2-amine is sourced from PubChem (CID 155055696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).