(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol

C15H26N2O — CID 155154303

IUPAC(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-14(2,3)13-9-7-8-11(17-13)12(18)10-16-15(4,5)6/h7-9,12,16,18H,10H2,1-6H3/t12-/m0/s1
InChIKeyOCAQQDRIMAOFPF-LBPRGKRZSA-N
MW250.39 g/mol
LogP2.80
Rot. Bonds3

About (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol

(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol (PubChem CID 155154303) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
PubChem CID155154303
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
SMILESCC(C)(C)NC[C@H](O)c1cccc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-14(2,3)13-9-7-8-11(17-13)12(18)10-16-15(4,5)6/h7-9,12,16,18H,10H2,1-6H3/t12-/m0/s1
InChIKeyOCAQQDRIMAOFPF-LBPRGKRZSA-N
XLogP2.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol?
The IUPAC name of (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol (CID 155154303) is (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol.
What is the SMILES notation for (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol?
The canonical SMILES for (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol is CC(C)(C)NC[C@H](O)c1cccc(C(C)(C)C)n1.
What is the InChIKey of (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol?
The InChIKey is OCAQQDRIMAOFPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(2,3)13-9-7-8-11(17-13)12(18)10-16-15(4,5)6/h7-9,12,16,18H,10H2,1-6H3/t12-/m0/s1.
What are the key properties of (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol?
(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol has a molecular weight of 250.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol is sourced from PubChem (CID 155154303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).