4-methyloxan-4-amine;hydrochloride

C6H14ClNO — CID 18437372

IUPAC4-methyloxan-4-amine;hydrochloride
SMILESCC1(N)CCOCC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(7)2-4-8-5-3-6;/h2-5,7H2,1H3;1H
InChIKeyJBTIPAKRVUCURY-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.94
Rot. Bonds

About 4-methyloxan-4-amine;hydrochloride

4-methyloxan-4-amine;hydrochloride (PubChem CID 18437372) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 4-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name4-methyloxan-4-amine;hydrochloride
PubChem CID18437372
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name4-methyloxan-4-amine;hydrochloride
SMILESCC1(N)CCOCC1.Cl
InChIInChI=1S/C6H13NO.ClH/c1-6(7)2-4-8-5-3-6;/h2-5,7H2,1H3;1H
InChIKeyJBTIPAKRVUCURY-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyloxan-4-amine;hydrochloride?
The IUPAC name of 4-methyloxan-4-amine;hydrochloride (CID 18437372) is 4-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for 4-methyloxan-4-amine;hydrochloride?
The canonical SMILES for 4-methyloxan-4-amine;hydrochloride is CC1(N)CCOCC1.Cl.
What is the InChIKey of 4-methyloxan-4-amine;hydrochloride?
The InChIKey is JBTIPAKRVUCURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-6(7)2-4-8-5-3-6;/h2-5,7H2,1H3;1H.
What are the key properties of 4-methyloxan-4-amine;hydrochloride?
4-methyloxan-4-amine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 18437372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).