3-methyloxan-4-amine;hydrochloride

C6H14ClNO — CID 67385715

IUPAC3-methyloxan-4-amine;hydrochloride
SMILESCC1COCCC1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-4-8-3-2-6(5)7;/h5-6H,2-4,7H2,1H3;1H
InChIKeyKNQUEEOHOGWETD-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.79
Rot. Bonds

About 3-methyloxan-4-amine;hydrochloride

3-methyloxan-4-amine;hydrochloride (PubChem CID 67385715) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 3-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyloxan-4-amine;hydrochloride
PubChem CID67385715
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name3-methyloxan-4-amine;hydrochloride
SMILESCC1COCCC1N.Cl
InChIInChI=1S/C6H13NO.ClH/c1-5-4-8-3-2-6(5)7;/h5-6H,2-4,7H2,1H3;1H
InChIKeyKNQUEEOHOGWETD-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyloxan-4-amine;hydrochloride?
The IUPAC name of 3-methyloxan-4-amine;hydrochloride (CID 67385715) is 3-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for 3-methyloxan-4-amine;hydrochloride?
The canonical SMILES for 3-methyloxan-4-amine;hydrochloride is CC1COCCC1N.Cl.
What is the InChIKey of 3-methyloxan-4-amine;hydrochloride?
The InChIKey is KNQUEEOHOGWETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-5-4-8-3-2-6(5)7;/h5-6H,2-4,7H2,1H3;1H.
What are the key properties of 3-methyloxan-4-amine;hydrochloride?
3-methyloxan-4-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 67385715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).