(5-tert-butyloxan-2-yl)methanamine

C10H21NO — CID 164830526

IUPAC(5-tert-butyloxan-2-yl)methanamine
SMILESCC(C)(C)C1CCC(CN)OC1
InChIInChI=1S/C10H21NO/c1-10(2,3)8-4-5-9(6-11)12-7-8/h8-9H,4-7,11H2,1-3H3
InChIKeyQHIOCQJXLJLWST-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.79
Rot. Bonds1

About (5-tert-butyloxan-2-yl)methanamine

(5-tert-butyloxan-2-yl)methanamine (PubChem CID 164830526) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (5-tert-butyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyloxan-2-yl)methanamine
PubChem CID164830526
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(5-tert-butyloxan-2-yl)methanamine
SMILESCC(C)(C)C1CCC(CN)OC1
InChIInChI=1S/C10H21NO/c1-10(2,3)8-4-5-9(6-11)12-7-8/h8-9H,4-7,11H2,1-3H3
InChIKeyQHIOCQJXLJLWST-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-tert-butyloxan-2-yl)methanamine 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 (5-tert-butyloxan-2-yl)methanamine?
The IUPAC name of (5-tert-butyloxan-2-yl)methanamine (CID 164830526) is (5-tert-butyloxan-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyloxan-2-yl)methanamine?
The canonical SMILES for (5-tert-butyloxan-2-yl)methanamine is CC(C)(C)C1CCC(CN)OC1.
What is the InChIKey of (5-tert-butyloxan-2-yl)methanamine?
The InChIKey is QHIOCQJXLJLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)8-4-5-9(6-11)12-7-8/h8-9H,4-7,11H2,1-3H3.
What are the key properties of (5-tert-butyloxan-2-yl)methanamine?
(5-tert-butyloxan-2-yl)methanamine has a molecular weight of 171.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyloxan-2-yl)methanamine is sourced from PubChem (CID 164830526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).