2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol

C13H22N2O — CID 63265002

IUPAC2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCCc1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-13(4-2,11-16)15-9-7-12-6-5-8-14-10-12/h5-6,8,10,15-16H,3-4,7,9,11H2,1-2H3
InChIKeyHBLRRUUDOWHSOL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.76
Rot. Bonds7

About 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol

2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol (PubChem CID 63265002) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol
PubChem CID63265002
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol
SMILESCCC(CC)(CO)NCCc1cccnc1
InChIInChI=1S/C13H22N2O/c1-3-13(4-2,11-16)15-9-7-12-6-5-8-14-10-12/h5-6,8,10,15-16H,3-4,7,9,11H2,1-2H3
InChIKeyHBLRRUUDOWHSOL-UHFFFAOYSA-N
XLogP1.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
argon;2-pyridin-3-ylethanol
CID 159015973
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-3-ylacetamide
CID 107845575
N-[(2-methylpropan-2-yl)oxy]-2-pyridin-3-ylethanamine
CID 82724326
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2-ethyl-2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]butanoic acid
CID 115430903
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
3-(4,4-dimethylhexyl)pyridine
CID 54117003
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol (CID 63265002) is 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol is CCC(CC)(CO)NCCc1cccnc1.
What is the InChIKey of 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol?
The InChIKey is HBLRRUUDOWHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-13(4-2,11-16)15-9-7-12-6-5-8-14-10-12/h5-6,8,10,15-16H,3-4,7,9,11H2,1-2H3.
What are the key properties of 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol?
2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol is sourced from PubChem (CID 63265002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).