[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol

C13H22N2O3 — CID 54989948

IUPAC[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
SMILESCOCCCN(CCOC)c1cc(CO)ccn1
InChIInChI=1S/C13H22N2O3/c1-17-8-3-6-15(7-9-18-2)13-10-12(11-16)4-5-14-13/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyFPQKNGNPUMSKMT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.06
Rot. Bonds9

About [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol

[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol (PubChem CID 54989948) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
PubChem CID54989948
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
SMILESCOCCCN(CCOC)c1cc(CO)ccn1
InChIInChI=1S/C13H22N2O3/c1-17-8-3-6-15(7-9-18-2)13-10-12(11-16)4-5-14-13/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyFPQKNGNPUMSKMT-UHFFFAOYSA-N
XLogP1.06
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055
4-[(tert-butylamino)methyl]-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62289206
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
CID 54985064
[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
[2-(dimethylamino)-4-pyridinyl]methanol
CID 22625066
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55059734
4-[(tert-butylamino)methyl]-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 62293920
[2-[butyl(methyl)amino]-4-pyridinyl]methanol
CID 61254738
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 54989774
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-4-amine
CID 62284664
[2-[2-(dimethylamino)ethyl-methylamino]-4-pyridinyl]methanol
CID 63698708
N-ethyl-N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294097

Frequently Asked Questions

What is the IUPAC name of [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol?
The IUPAC name of [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol (CID 54989948) is [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol is COCCCN(CCOC)c1cc(CO)ccn1.
What is the InChIKey of [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol?
The InChIKey is FPQKNGNPUMSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-17-8-3-6-15(7-9-18-2)13-10-12(11-16)4-5-14-13/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol?
[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol has a molecular weight of 254.33 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol is sourced from PubChem (CID 54989948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).