2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol

C14H24N2O2 — CID 156508537

IUPAC2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol
SMILESCC(C)c1cccc(C(O)(O)CNC(C)(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-10(2)11-7-6-8-12(16-11)14(17,18)9-15-13(3,4)5/h6-8,10,15,17-18H,9H2,1-5H3
InChIKeyYUZVEOGISXPNLO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.73
Rot. Bonds4

About 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol

2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol (PubChem CID 156508537) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol
PubChem CID156508537
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol
SMILESCC(C)c1cccc(C(O)(O)CNC(C)(C)C)n1
InChIInChI=1S/C14H24N2O2/c1-10(2)11-7-6-8-12(16-11)14(17,18)9-15-13(3,4)5/h6-8,10,15,17-18H,9H2,1-5H3
InChIKeyYUZVEOGISXPNLO-UHFFFAOYSA-N
XLogP1.73
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-1-[6-(ethylamino)-2-pyridinyl]ethane-1,1-diol
CID 155154325
2-(2-methoxypropan-2-yl)-6-propan-2-ylpyridine
CID 170048703
2-(2-methylpentan-2-yl)-6-propan-2-ylpyridine
CID 129015517
(1S)-2-(tert-butylamino)-1-(6-tert-butyl-2-pyridinyl)ethanol
CID 155154303
N-(2,2-dimethylpropyl)-6-propan-2-ylpyridin-2-amine
CID 176658532
(2S)-1-(tert-butylamino)-2-(6-ethoxy-2-pyridinyl)propan-2-ol
CID 170592947
6-[(2R)-1-(tert-butylamino)propan-2-yl]pyridin-2-amine
CID 155461852
2-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]propanamide
CID 175768787
(1S)-2,2-dimethyl-1-[6-(6-propan-2-yl-2-pyridinyl)-2-pyridinyl]propan-1-ol
CID 139262037
2-(6-propan-2-yl-2-pyridinyl)ethanol
CID 67800992
(1S)-1-(6-amino-2-pyridinyl)-2-(tert-butylamino)ethanol
CID 155162177
2-methyl-6-propan-2-ylpyridine
CID 12791785

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol?
The IUPAC name of 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol (CID 156508537) is 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol.
What is the SMILES notation for 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol?
The canonical SMILES for 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol is CC(C)c1cccc(C(O)(O)CNC(C)(C)C)n1.
What is the InChIKey of 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol?
The InChIKey is YUZVEOGISXPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)11-7-6-8-12(16-11)14(17,18)9-15-13(3,4)5/h6-8,10,15,17-18H,9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol?
2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol has a molecular weight of 252.36 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(6-propan-2-yl-2-pyridinyl)ethane-1,1-diol is sourced from PubChem (CID 156508537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).