2-ethyl-2-methyloxan-4-amine;hydrochloride

C8H18ClNO — CID 167726170

IUPAC2-ethyl-2-methyloxan-4-amine;hydrochloride
SMILESCCC1(C)CC(N)CCO1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-8(2)6-7(9)4-5-10-8;/h7H,3-6,9H2,1-2H3;1H
InChIKeySKRPZYQRALFHIC-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.71
Rot. Bonds1

About 2-ethyl-2-methyloxan-4-amine;hydrochloride

2-ethyl-2-methyloxan-4-amine;hydrochloride (PubChem CID 167726170) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-ethyl-2-methyloxan-4-amine;hydrochloride.

Molecular Properties

Compound Name2-ethyl-2-methyloxan-4-amine;hydrochloride
PubChem CID167726170
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-ethyl-2-methyloxan-4-amine;hydrochloride
SMILESCCC1(C)CC(N)CCO1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-8(2)6-7(9)4-5-10-8;/h7H,3-6,9H2,1-2H3;1H
InChIKeySKRPZYQRALFHIC-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyloxan-4-amine;hydrochloride?
The IUPAC name of 2-ethyl-2-methyloxan-4-amine;hydrochloride (CID 167726170) is 2-ethyl-2-methyloxan-4-amine;hydrochloride.
What is the SMILES notation for 2-ethyl-2-methyloxan-4-amine;hydrochloride?
The canonical SMILES for 2-ethyl-2-methyloxan-4-amine;hydrochloride is CCC1(C)CC(N)CCO1.Cl.
What is the InChIKey of 2-ethyl-2-methyloxan-4-amine;hydrochloride?
The InChIKey is SKRPZYQRALFHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-3-8(2)6-7(9)4-5-10-8;/h7H,3-6,9H2,1-2H3;1H.
What are the key properties of 2-ethyl-2-methyloxan-4-amine;hydrochloride?
2-ethyl-2-methyloxan-4-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyloxan-4-amine;hydrochloride is sourced from PubChem (CID 167726170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).