2-amino-2-cyclohexylethanol;hydrochloride

C8H18ClNO — CID 56828118

IUPAC2-amino-2-cyclohexylethanol;hydrochloride
SMILESCl.NC(CO)C1CCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-8(6-10)7-4-2-1-3-5-7;/h7-8,10H,1-6,9H2;1H
InChIKeyPENLKJMHKAXHJP-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-2-cyclohexylethanol;hydrochloride

2-amino-2-cyclohexylethanol;hydrochloride (PubChem CID 56828118) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-amino-2-cyclohexylethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-cyclohexylethanol;hydrochloride
PubChem CID56828118
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-amino-2-cyclohexylethanol;hydrochloride
SMILESCl.NC(CO)C1CCCCC1
InChIInChI=1S/C8H17NO.ClH/c9-8(6-10)7-4-2-1-3-5-7;/h7-8,10H,1-6,9H2;1H
InChIKeyPENLKJMHKAXHJP-UHFFFAOYSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexylethanol;hydrochloride?
The IUPAC name of 2-amino-2-cyclohexylethanol;hydrochloride (CID 56828118) is 2-amino-2-cyclohexylethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-cyclohexylethanol;hydrochloride?
The canonical SMILES for 2-amino-2-cyclohexylethanol;hydrochloride is Cl.NC(CO)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexylethanol;hydrochloride?
The InChIKey is PENLKJMHKAXHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c9-8(6-10)7-4-2-1-3-5-7;/h7-8,10H,1-6,9H2;1H.
What are the key properties of 2-amino-2-cyclohexylethanol;hydrochloride?
2-amino-2-cyclohexylethanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexylethanol;hydrochloride is sourced from PubChem (CID 56828118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).