N-methyloxan-4-amine;hydrochloride

C6H14ClNO — CID 22736998

IUPACN-methyloxan-4-amine;hydrochloride
SMILESCNC1CCOCC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-7-6-2-4-8-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyMMMCYLTUYKZCEN-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.81
Rot. Bonds1

About N-methyloxan-4-amine;hydrochloride

N-methyloxan-4-amine;hydrochloride (PubChem CID 22736998) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is N-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyloxan-4-amine;hydrochloride
PubChem CID22736998
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC NameN-methyloxan-4-amine;hydrochloride
SMILESCNC1CCOCC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-7-6-2-4-8-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyMMMCYLTUYKZCEN-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyloxan-4-amine;hydrochloride?
The IUPAC name of N-methyloxan-4-amine;hydrochloride (CID 22736998) is N-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for N-methyloxan-4-amine;hydrochloride?
The canonical SMILES for N-methyloxan-4-amine;hydrochloride is CNC1CCOCC1.Cl.
What is the InChIKey of N-methyloxan-4-amine;hydrochloride?
The InChIKey is MMMCYLTUYKZCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-7-6-2-4-8-5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of N-methyloxan-4-amine;hydrochloride?
N-methyloxan-4-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 22736998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).