2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol

C12H21N3O — CID 79244315

IUPAC2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1ccnc(CN(C)CCO)c1
InChIInChI=1S/C12H21N3O/c1-3-5-13-11-4-6-14-12(9-11)10-15(2)7-8-16/h4,6,9,16H,3,5,7-8,10H2,1-2H3,(H,13,14)
InChIKeyPXLGFSSWVWTVBG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.33
Rot. Bonds7

About 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol

2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol (PubChem CID 79244315) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
PubChem CID79244315
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1ccnc(CN(C)CCO)c1
InChIInChI=1S/C12H21N3O/c1-3-5-13-11-4-6-14-12(9-11)10-15(2)7-8-16/h4,6,9,16H,3,5,7-8,10H2,1-2H3,(H,13,14)
InChIKeyPXLGFSSWVWTVBG-UHFFFAOYSA-N
XLogP1.33
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
The IUPAC name of 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol (CID 79244315) is 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol is CCCNc1ccnc(CN(C)CCO)c1.
What is the InChIKey of 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
The InChIKey is PXLGFSSWVWTVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-13-11-4-6-14-12(9-11)10-15(2)7-8-16/h4,6,9,16H,3,5,7-8,10H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol?
2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]ethanol is sourced from PubChem (CID 79244315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).