(4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride

C8H16ClNO — CID 155973247

IUPAC(4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride
SMILESCCC12CNC(CO)(C1)C2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-7-3-8(4-7,6-10)9-5-7;/h9-10H,2-6H2,1H3;1H
InChIKeyJPVYXKZALJNONN-UHFFFAOYSA-N
MW177.67 g/mol
LogP0.93
Rot. Bonds2

About (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride

(4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride (PubChem CID 155973247) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride
PubChem CID155973247
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride
SMILESCCC12CNC(CO)(C1)C2.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-7-3-8(4-7,6-10)9-5-7;/h9-10H,2-6H2,1H3;1H
InChIKeyJPVYXKZALJNONN-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
The IUPAC name of (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride (CID 155973247) is (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride.
What is the SMILES notation for (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
The canonical SMILES for (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride is CCC12CNC(CO)(C1)C2.Cl.
What is the InChIKey of (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
The InChIKey is JPVYXKZALJNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-7-3-8(4-7,6-10)9-5-7;/h9-10H,2-6H2,1H3;1H.
What are the key properties of (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride?
(4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)methanol;hydrochloride is sourced from PubChem (CID 155973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).