(2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride

C10H22ClNO — CID 118705116

IUPAC(2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride
SMILESCC1(C)CC(CN)CC(C)(C)O1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-9(2)5-8(7-11)6-10(3,4)12-9;/h8H,5-7,11H2,1-4H3;1H
InChIKeyFGYBUVKJRACIOJ-UHFFFAOYSA-N
MW207.74 g/mol
LogP2.35
Rot. Bonds1

About (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride

(2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride (PubChem CID 118705116) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride
PubChem CID118705116
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Name(2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride
SMILESCC1(C)CC(CN)CC(C)(C)O1.Cl
InChIInChI=1S/C10H21NO.ClH/c1-9(2)5-8(7-11)6-10(3,4)12-9;/h8H,5-7,11H2,1-4H3;1H
InChIKeyFGYBUVKJRACIOJ-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride?
The IUPAC name of (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride (CID 118705116) is (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride?
The canonical SMILES for (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride is CC1(C)CC(CN)CC(C)(C)O1.Cl.
What is the InChIKey of (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride?
The InChIKey is FGYBUVKJRACIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-9(2)5-8(7-11)6-10(3,4)12-9;/h8H,5-7,11H2,1-4H3;1H.
What are the key properties of (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride?
(2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride has a molecular weight of 207.74 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethyloxan-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 118705116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).