2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol

C13H23N3O — CID 62182263

IUPAC2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1ccc(CN(CC)CCO)cn1
InChIInChI=1S/C13H23N3O/c1-3-7-14-13-6-5-12(10-15-13)11-16(4-2)8-9-17/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,14,15)
InChIKeyIKANYHYHTPXBCX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.72
Rot. Bonds8

About 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol

2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol (PubChem CID 62182263) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
PubChem CID62182263
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol
SMILESCCCNc1ccc(CN(CC)CCO)cn1
InChIInChI=1S/C13H23N3O/c1-3-7-14-13-6-5-12(10-15-13)11-16(4-2)8-9-17/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,14,15)
InChIKeyIKANYHYHTPXBCX-UHFFFAOYSA-N
XLogP1.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183438
2-[butyl-[[6-(methylamino)-3-pyridinyl]methyl]amino]ethanol
CID 62184221
N,N,N'-trimethyl-N'-[[6-(propylamino)-3-pyridinyl]methyl]ethane-1,2-diamine
CID 63698946
6-[2-[ethyl(2-hydroxyethyl)amino]ethylamino]pyridine-3-carbonitrile
CID 133480172
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62183338
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-N-propylpyridin-2-amine
CID 62183942
2-[(5-ethyl-2-pyridinyl)amino]ethanol
CID 58961616
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
5-[(N,2-dimethylanilino)methyl]-N-propylpyridin-2-amine
CID 62209613
N-(2-hydroxyethyl)-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55046804

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol (CID 62182263) is 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol is CCCNc1ccc(CN(CC)CCO)cn1.
What is the InChIKey of 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
The InChIKey is IKANYHYHTPXBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-14-13-6-5-12(10-15-13)11-16(4-2)8-9-17/h5-6,10,17H,3-4,7-9,11H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol?
2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]ethanol is sourced from PubChem (CID 62182263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).