N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride

C8H18ClNO — CID 50944152

IUPACN-methyl-2-(oxan-4-yl)ethanamine;hydrochloride
SMILESCNCCC1CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-9-5-2-8-3-6-10-7-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeyXLBMZJKYRODOIV-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.44
Rot. Bonds3

About N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride

N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride (PubChem CID 50944152) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-yl)ethanamine;hydrochloride
PubChem CID50944152
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC NameN-methyl-2-(oxan-4-yl)ethanamine;hydrochloride
SMILESCNCCC1CCOCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-9-5-2-8-3-6-10-7-4-8;/h8-9H,2-7H2,1H3;1H
InChIKeyXLBMZJKYRODOIV-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride (CID 50944152) is N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride is CNCCC1CCOCC1.Cl.
What is the InChIKey of N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride?
The InChIKey is XLBMZJKYRODOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-9-5-2-8-3-6-10-7-4-8;/h8-9H,2-7H2,1H3;1H.
What are the key properties of N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride?
N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 50944152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).