2-(1-methoxycyclopentyl)ethanamine;hydrochloride

C8H18ClNO — CID 139011792

IUPAC2-(1-methoxycyclopentyl)ethanamine;hydrochloride
SMILESCOC1(CCN)CCCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-10-8(6-7-9)4-2-3-5-8;/h2-7,9H2,1H3;1H
InChIKeyMYISMXVEWMGQAC-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.72
Rot. Bonds3

About 2-(1-methoxycyclopentyl)ethanamine;hydrochloride

2-(1-methoxycyclopentyl)ethanamine;hydrochloride (PubChem CID 139011792) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)ethanamine;hydrochloride
PubChem CID139011792
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-(1-methoxycyclopentyl)ethanamine;hydrochloride
SMILESCOC1(CCN)CCCC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-10-8(6-7-9)4-2-3-5-8;/h2-7,9H2,1H3;1H
InChIKeyMYISMXVEWMGQAC-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)ethanamine;hydrochloride?
The IUPAC name of 2-(1-methoxycyclopentyl)ethanamine;hydrochloride (CID 139011792) is 2-(1-methoxycyclopentyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1-methoxycyclopentyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1-methoxycyclopentyl)ethanamine;hydrochloride is COC1(CCN)CCCC1.Cl.
What is the InChIKey of 2-(1-methoxycyclopentyl)ethanamine;hydrochloride?
The InChIKey is MYISMXVEWMGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-10-8(6-7-9)4-2-3-5-8;/h2-7,9H2,1H3;1H.
What are the key properties of 2-(1-methoxycyclopentyl)ethanamine;hydrochloride?
2-(1-methoxycyclopentyl)ethanamine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)ethanamine;hydrochloride is sourced from PubChem (CID 139011792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).