(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol

C13H23N3O — CID 155153921

IUPAC(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol
SMILESCCNc1ncccc1[C@@H](O)CNC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-5-14-12-10(7-6-8-15-12)11(17)9-16-13(2,3)4/h6-8,11,16-17H,5,9H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyGFWHGARMTGYFCB-NSHDSACASA-N
MW237.35 g/mol
LogP1.93
Rot. Bonds5

About (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol

(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol (PubChem CID 155153921) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol
PubChem CID155153921
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol
SMILESCCNc1ncccc1[C@@H](O)CNC(C)(C)C
InChIInChI=1S/C13H23N3O/c1-5-14-12-10(7-6-8-15-12)11(17)9-16-13(2,3)4/h6-8,11,16-17H,5,9H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyGFWHGARMTGYFCB-NSHDSACASA-N
XLogP1.93
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol?
The IUPAC name of (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol (CID 155153921) is (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol.
What is the SMILES notation for (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol?
The canonical SMILES for (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol is CCNc1ncccc1[C@@H](O)CNC(C)(C)C.
What is the InChIKey of (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol?
The InChIKey is GFWHGARMTGYFCB-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-14-12-10(7-6-8-15-12)11(17)9-16-13(2,3)4/h6-8,11,16-17H,5,9H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol?
(1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(tert-butylamino)-1-[2-(ethylamino)-3-pyridinyl]ethanol is sourced from PubChem (CID 155153921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).