2-(4-aminocyclohexyl)ethanol

C8H17NO — CID 21312787

IUPAC2-(4-aminocyclohexyl)ethanol
SMILESNC1CCC(CCO)CC1
InChIInChI=1S/C8H17NO/c9-8-3-1-7(2-4-8)5-6-10/h7-8,10H,1-6,9H2
InChIKeyXLKSLYGRARRUJP-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.89
Rot. Bonds2

About 2-(4-aminocyclohexyl)ethanol

2-(4-aminocyclohexyl)ethanol (PubChem CID 21312787) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)ethanol.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)ethanol
PubChem CID21312787
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(4-aminocyclohexyl)ethanol
SMILESNC1CCC(CCO)CC1
InChIInChI=1S/C8H17NO/c9-8-3-1-7(2-4-8)5-6-10/h7-8,10H,1-6,9H2
InChIKeyXLKSLYGRARRUJP-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-cyclohexylpropan-1-ol
CID 444569
2-Amino-1-cyclohexylethan-1-ol
CID 11990554
rac-((1R,2S)-2-aminocyclohexyl)methanol
CID 2724653
trans-(2-Aminocyclohexyl)methanol
CID 2724655
2-Amino-3-cyclohexylpropan-1-ol
CID 4068950
2-Amino-1-cyclohexyl-ethanol hydrochloride
CID 49861475
Cyclohexanemethanol, 4-(aminomethyl)-
CID 70631
(2-Aminocyclohexyl)methanol
CID 544863
[(1s,2r)-2-Aminocyclohexyl]methanol
CID 12135673
4-(2-Aminoethyl)cyclohexan-1-ol
CID 17773621
3-Amino-3-cyclohexylpropan-1-ol
CID 17039367
(2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride
CID 16212813

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)ethanol?
The IUPAC name of 2-(4-aminocyclohexyl)ethanol (CID 21312787) is 2-(4-aminocyclohexyl)ethanol.
What is the SMILES notation for 2-(4-aminocyclohexyl)ethanol?
The canonical SMILES for 2-(4-aminocyclohexyl)ethanol is NC1CCC(CCO)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)ethanol?
The InChIKey is XLKSLYGRARRUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c9-8-3-1-7(2-4-8)5-6-10/h7-8,10H,1-6,9H2.
What are the key properties of 2-(4-aminocyclohexyl)ethanol?
2-(4-aminocyclohexyl)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)ethanol is sourced from PubChem (CID 21312787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).