(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride

C8H18ClNO — CID 129247786

IUPAC(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride
SMILESC[C@@H](O)C1CCC(N)CC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h6-8,10H,2-5,9H2,1H3;1H/t6-,7?,8?;/m1./s1
InChIKeySWOMFVIXBUZEEG-PUFYQOQHSA-N
MW179.69 g/mol
LogP1.31
Rot. Bonds1

About (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride

(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride (PubChem CID 129247786) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride
PubChem CID129247786
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride
SMILESC[C@@H](O)C1CCC(N)CC1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h6-8,10H,2-5,9H2,1H3;1H/t6-,7?,8?;/m1./s1
InChIKeySWOMFVIXBUZEEG-PUFYQOQHSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

1-(4-aminocyclohexyl)propan-1-ol
CID 89389818
cyclohexane-1,4-diamine;hydrochloride
CID 54599176
1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 21252675
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
(2R)-2-(4-aminocyclohexyl)-2-hydroxyacetamide
CID 146667473
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
[(1S,3S)-3-aminocyclopentyl]methanediol
CID 156547371
2-(4-aminocyclohexyl)-2-methoxyacetamide
CID 91129607
4-[2-methyl-1-(methylamino)propyl]cyclohexan-1-amine
CID 116952267
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
(1R)-1-(4-methylsulfonylcyclohexyl)ethanol
CID 166828331
4-[cyclopropyl(methylamino)methyl]cyclohexan-1-amine
CID 142323117

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride?
The IUPAC name of (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride (CID 129247786) is (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride.
What is the SMILES notation for (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride?
The canonical SMILES for (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride is C[C@@H](O)C1CCC(N)CC1.Cl.
What is the InChIKey of (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride?
The InChIKey is SWOMFVIXBUZEEG-PUFYQOQHSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h6-8,10H,2-5,9H2,1H3;1H/t6-,7?,8?;/m1./s1.
What are the key properties of (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride?
(1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-aminocyclohexyl)ethanol;hydrochloride is sourced from PubChem (CID 129247786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).