6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine

C16H29N3O2 — CID 79234138

IUPAC6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(CCCOC)CCOC)n1
InChIInChI=1S/C16H29N3O2/c1-4-9-17-16-8-5-7-15(18-16)14-19(11-13-21-3)10-6-12-20-2/h5,7-8H,4,6,9-14H2,1-3H3,(H,17,18)
InChIKeyXZZZVEARMFEEDR-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.39
Rot. Bonds12

About 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine

6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 79234138) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID79234138
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(CCCOC)CCOC)n1
InChIInChI=1S/C16H29N3O2/c1-4-9-17-16-8-5-7-15(18-16)14-19(11-13-21-3)10-6-12-20-2/h5,7-8H,4,6,9-14H2,1-3H3,(H,17,18)
InChIKeyXZZZVEARMFEEDR-UHFFFAOYSA-N
XLogP2.39
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.39
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

N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
6-[2-(2-methoxyethoxy)ethoxymethyl]-N-propylpyridin-2-amine
CID 104565921
N-ethyl-6-[[2-methoxyethyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 82953078
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
CID 79230668
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870
6-[(dibutylamino)methyl]-N-methylpyridin-2-amine
CID 79243168
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
6-(1-methoxypropan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 79239046
6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
N-ethyl-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-2-amine
CID 79243744
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine (CID 79234138) is 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN(CCCOC)CCOC)n1.
What is the InChIKey of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is XZZZVEARMFEEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-9-17-16-8-5-7-15(18-16)14-19(11-13-21-3)10-6-12-20-2/h5,7-8H,4,6,9-14H2,1-3H3,(H,17,18).
What are the key properties of 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine?
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 295.43 g/mol, XLogP of 2.39, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79234138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).