[(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride

C7H16ClNO — CID 139026481

IUPAC[(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride
SMILESC[C@@H]1CC[C@@H](CN)OC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-2-3-7(4-8)9-5-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyPMFNWZGLEHMMMQ-HHQFNNIRSA-N
MW165.66 g/mol
LogP1.18
Rot. Bonds1

About [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride

[(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride (PubChem CID 139026481) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride
PubChem CID139026481
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name[(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride
SMILESC[C@@H]1CC[C@@H](CN)OC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-6-2-3-7(4-8)9-5-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1
InChIKeyPMFNWZGLEHMMMQ-HHQFNNIRSA-N
XLogP1.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride (CID 139026481) is [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride is C[C@@H]1CC[C@@H](CN)OC1.Cl.
What is the InChIKey of [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride?
The InChIKey is PMFNWZGLEHMMMQ-HHQFNNIRSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-6-2-3-7(4-8)9-5-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7+;/m1./s1.
What are the key properties of [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride?
[(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methyloxan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 139026481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).