2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol

C17H28N2O — CID 65400523

IUPAC2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol
SMILESCC(C)(C)C1CCC(C(O)Cc2ccnc(N)c2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)15(20)10-12-8-9-19-16(18)11-12/h8-9,11,13-15,20H,4-7,10H2,1-3H3,(H2,18,19)
InChIKeyGIDNLUIKWHXMHB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol

2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol (PubChem CID 65400523) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol
PubChem CID65400523
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol
SMILESCC(C)(C)C1CCC(C(O)Cc2ccnc(N)c2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)15(20)10-12-8-9-19-16(18)11-12/h8-9,11,13-15,20H,4-7,10H2,1-3H3,(H2,18,19)
InChIKeyGIDNLUIKWHXMHB-UHFFFAOYSA-N
XLogP3.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[7-(1-Hydroxy-ethyl)-isoquinolin-1-yl]-guanidine
CID 44339260
[3-[6-(Methylamino)-3-pyridyl]phenyl]methanol
CID 49795255
[2-[6-(Methylamino)-3-pyridinyl]phenyl]methanol
CID 49795829
cis-(1S,5R)-3,3,5-trimethyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 70687372
cis-(1S,5R)-3,3,5-trimethyl-5-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
CID 70689435
[4-(2-Hydroxy-2-p-tolyl-ethyl)-pyridin-2-yl]-urea
CID 69083506
Phenethylamine, N-(2-pyridyl)-alpha-hydroxy-, hydrochloride
CID 113821
Cyclohexanemethanol, alpha-((2-pyridylamino)methyl)-, hydrochloride
CID 120888
2-(6-Aminopyridin-3-yl)ethan-1-ol
CID 21876349
2-(2-Aminopyridin-4-yl)ethan-1-ol
CID 23058258
(4-(2-Amino-5-phenylpyridin-3-yl)phenyl)methanol
CID 46229881
1-(1-{[6-(Dimethylamino)-3-pyridinyl]methyl}-4-piperidinyl)-2-phenylethanol
CID 56909726

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol (CID 65400523) is 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol is CC(C)(C)C1CCC(C(O)Cc2ccnc(N)c2)CC1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
The InChIKey is GIDNLUIKWHXMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)15(20)10-12-8-9-19-16(18)11-12/h8-9,11,13-15,20H,4-7,10H2,1-3H3,(H2,18,19).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol is sourced from PubChem (CID 65400523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).