(2R,4R)-2-methyloxan-4-amine;hydrochloride

C6H14ClNO — CID 118868154

IUPAC(2R,4R)-2-methyloxan-4-amine;hydrochloride
SMILESC[C@@H]1C[C@H](N)CCO1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-4-6(7)2-3-8-5;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyAVADPQZSGFARIV-KGZKBUQUSA-N
MW151.64 g/mol
LogP0.93
Rot. Bonds

About (2R,4R)-2-methyloxan-4-amine;hydrochloride

(2R,4R)-2-methyloxan-4-amine;hydrochloride (PubChem CID 118868154) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is (2R,4R)-2-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-2-methyloxan-4-amine;hydrochloride
PubChem CID118868154
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name(2R,4R)-2-methyloxan-4-amine;hydrochloride
SMILESC[C@@H]1C[C@H](N)CCO1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-4-6(7)2-3-8-5;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyAVADPQZSGFARIV-KGZKBUQUSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyloxan-4-amine;hydrochloride?
The IUPAC name of (2R,4R)-2-methyloxan-4-amine;hydrochloride (CID 118868154) is (2R,4R)-2-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for (2R,4R)-2-methyloxan-4-amine;hydrochloride?
The canonical SMILES for (2R,4R)-2-methyloxan-4-amine;hydrochloride is C[C@@H]1C[C@H](N)CCO1.Cl.
What is the InChIKey of (2R,4R)-2-methyloxan-4-amine;hydrochloride?
The InChIKey is AVADPQZSGFARIV-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-5-4-6(7)2-3-8-5;/h5-6H,2-4,7H2,1H3;1H/t5-,6-;/m1./s1.
What are the key properties of (2R,4R)-2-methyloxan-4-amine;hydrochloride?
(2R,4R)-2-methyloxan-4-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 118868154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).