(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol

C14H25N3O — CID 103189839

IUPAC(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol
SMILESCCN(c1cc([C@@H](C)O)ccn1)C(C)CN(C)C
InChIInChI=1S/C14H25N3O/c1-6-17(11(2)10-16(4)5)14-9-13(12(3)18)7-8-15-14/h7-9,11-12,18H,6,10H2,1-5H3/t11?,12-/m1/s1
InChIKeyZWYXLNAFNAYOOZ-PIJUOVFKSA-N
MW251.37 g/mol
LogP1.91
Rot. Bonds6

About (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol

(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol (PubChem CID 103189839) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol
PubChem CID103189839
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol
SMILESCCN(c1cc([C@@H](C)O)ccn1)C(C)CN(C)C
InChIInChI=1S/C14H25N3O/c1-6-17(11(2)10-16(4)5)14-9-13(12(3)18)7-8-15-14/h7-9,11-12,18H,6,10H2,1-5H3/t11?,12-/m1/s1
InChIKeyZWYXLNAFNAYOOZ-PIJUOVFKSA-N
XLogP1.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol?
The IUPAC name of (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol (CID 103189839) is (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol?
The canonical SMILES for (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol is CCN(c1cc([C@@H](C)O)ccn1)C(C)CN(C)C.
What is the InChIKey of (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol?
The InChIKey is ZWYXLNAFNAYOOZ-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-17(11(2)10-16(4)5)14-9-13(12(3)18)7-8-15-14/h7-9,11-12,18H,6,10H2,1-5H3/t11?,12-/m1/s1.
What are the key properties of (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol?
(1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-pyridinyl]ethanol is sourced from PubChem (CID 103189839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).