N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

C16H29N3O2 — CID 106906390

IUPACN-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(CCOC)CCOC)n1
InChIInChI=1S/C16H29N3O2/c1-4-8-17-13-15-6-5-7-16(18-15)14-19(9-11-20-2)10-12-21-3/h5-7,17H,4,8-14H2,1-3H3
InChIKeyXLDFSGZRWCBFJT-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.68
Rot. Bonds12

About N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine

N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106906390) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
PubChem CID106906390
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(CCOC)CCOC)n1
InChIInChI=1S/C16H29N3O2/c1-4-8-17-13-15-6-5-7-16(18-15)14-19(9-11-20-2)10-12-21-3/h5-7,17H,4,8-14H2,1-3H3
InChIKeyXLDFSGZRWCBFJT-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
CID 79234138
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-(propylaminomethyl)pyridin-2-amine
CID 62288685
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2-methoxyethyl)butan-2-amine
CID 106906356
N-[[6-[[methyl(propan-2-yl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905577
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]prop-2-en-1-amine
CID 106907286
1-methoxy-N-(2-methoxyethyl)-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106906404
N-methyl-N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]cyclohexanamine
CID 106905570
N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62430675

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine (CID 106906390) is N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cccc(CN(CCOC)CCOC)n1.
What is the InChIKey of N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is XLDFSGZRWCBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-8-17-13-15-6-5-7-16(18-15)14-19(9-11-20-2)10-12-21-3/h5-7,17H,4,8-14H2,1-3H3.
What are the key properties of N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine?
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 1.68, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106906390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).