2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol

C15H27N3O — CID 80630854

IUPAC2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
SMILESCCCN(CCO)c1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C15H27N3O/c1-5-8-18(9-10-19)14-7-6-13(11-16-14)12-17-15(2,3)4/h6-7,11,17,19H,5,8-10,12H2,1-4H3
InChIKeyDYRMVNYJUSNRBU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.18
Rot. Bonds7

About 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol

2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol (PubChem CID 80630854) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
PubChem CID80630854
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol
SMILESCCCN(CCO)c1ccc(CNC(C)(C)C)cn1
InChIInChI=1S/C15H27N3O/c1-5-8-18(9-10-19)14-7-6-13(11-16-14)12-17-15(2,3)4/h6-7,11,17,19H,5,8-10,12H2,1-4H3
InChIKeyDYRMVNYJUSNRBU-UHFFFAOYSA-N
XLogP2.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
Ethyl 4-[(4-methylpyridin-2-yl)amino]piperidine-1-carboxylate
CID 11149707
2-({6-[(3-Methylphenyl)amino]pyrimidin-4-yl}amino)ethan-1-ol
CID 5328382
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
N-(propan-2-yl)pyridin-2-amine
CID 2366450
1-(2-Methoxyethyl)-3-pyridin-2-ylthiourea
CID 1854097
1-(2-Methoxyethyl)-3-(3-methylpyridin-2-yl)thiourea
CID 2239331
2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyridin-4-ylamino]-ethanol
CID 9943680
nAChR antagonist AP-211
CID 137638073
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
5-[(dimethylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine
CID 156286815
Guanidine, 1-tert-butyl-2-cyano-3-(2-pyridyl)-
CID 43350

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol?
The IUPAC name of 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol (CID 80630854) is 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol?
The canonical SMILES for 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol is CCCN(CCO)c1ccc(CNC(C)(C)C)cn1.
What is the InChIKey of 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol?
The InChIKey is DYRMVNYJUSNRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-18(9-10-19)14-7-6-13(11-16-14)12-17-15(2,3)4/h6-7,11,17,19H,5,8-10,12H2,1-4H3.
What are the key properties of 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol?
2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol has a molecular weight of 265.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(tert-butylamino)methyl]-2-pyridinyl]-propylamino]ethanol is sourced from PubChem (CID 80630854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).