(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine

C11H23NO — CID 129226484

IUPAC(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine
SMILESCCCN[C@@H]1O[C@@H]1C(C)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-7-12-10-9(13-10)8(2)11(3,4)5/h8-10,12H,6-7H2,1-5H3/t8?,9-,10-/m1/s1
InChIKeyMOBRVJZRYLLUBZ-VXRWAFEHSA-N
MW185.31 g/mol
LogP2.39
Rot. Bonds4

About (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine

(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine (PubChem CID 129226484) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine
PubChem CID129226484
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine
SMILESCCCN[C@@H]1O[C@@H]1C(C)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-7-12-10-9(13-10)8(2)11(3,4)5/h8-10,12H,6-7H2,1-5H3/t8?,9-,10-/m1/s1
InChIKeyMOBRVJZRYLLUBZ-VXRWAFEHSA-N
XLogP2.39
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine?
The IUPAC name of (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine (CID 129226484) is (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine.
What is the SMILES notation for (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine?
The canonical SMILES for (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine is CCCN[C@@H]1O[C@@H]1C(C)C(C)(C)C.
What is the InChIKey of (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine?
The InChIKey is MOBRVJZRYLLUBZ-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-12-10-9(13-10)8(2)11(3,4)5/h8-10,12H,6-7H2,1-5H3/t8?,9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine?
(2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(3,3-dimethylbutan-2-yl)-N-propyloxiran-2-amine is sourced from PubChem (CID 129226484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).