(5,6-ditert-butyloxan-2-yl)methanamine

C14H29NO — CID 134317186

IUPAC(5,6-ditert-butyloxan-2-yl)methanamine
SMILESCC(C)(C)C1CCC(CN)OC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)11-8-7-10(9-15)16-12(11)14(4,5)6/h10-12H,7-9,15H2,1-6H3
InChIKeyIEEGUDMFCOSOTG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.20
Rot. Bonds1

About (5,6-ditert-butyloxan-2-yl)methanamine

(5,6-ditert-butyloxan-2-yl)methanamine (PubChem CID 134317186) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is (5,6-ditert-butyloxan-2-yl)methanamine.

Molecular Properties

Compound Name(5,6-ditert-butyloxan-2-yl)methanamine
PubChem CID134317186
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name(5,6-ditert-butyloxan-2-yl)methanamine
SMILESCC(C)(C)C1CCC(CN)OC1C(C)(C)C
InChIInChI=1S/C14H29NO/c1-13(2,3)11-8-7-10(9-15)16-12(11)14(4,5)6/h10-12H,7-9,15H2,1-6H3
InChIKeyIEEGUDMFCOSOTG-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5,6-ditert-butyloxan-2-yl)methanamine?
The IUPAC name of (5,6-ditert-butyloxan-2-yl)methanamine (CID 134317186) is (5,6-ditert-butyloxan-2-yl)methanamine.
What is the SMILES notation for (5,6-ditert-butyloxan-2-yl)methanamine?
The canonical SMILES for (5,6-ditert-butyloxan-2-yl)methanamine is CC(C)(C)C1CCC(CN)OC1C(C)(C)C.
What is the InChIKey of (5,6-ditert-butyloxan-2-yl)methanamine?
The InChIKey is IEEGUDMFCOSOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2,3)11-8-7-10(9-15)16-12(11)14(4,5)6/h10-12H,7-9,15H2,1-6H3.
What are the key properties of (5,6-ditert-butyloxan-2-yl)methanamine?
(5,6-ditert-butyloxan-2-yl)methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-ditert-butyloxan-2-yl)methanamine is sourced from PubChem (CID 134317186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).