N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine

C16H28N2O — CID 106907788

IUPACN-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCCCCOCc1cccc(CNCCC)n1
InChIInChI=1S/C16H28N2O/c1-3-5-6-7-12-19-14-16-10-8-9-15(18-16)13-17-11-4-2/h8-10,17H,3-7,11-14H2,1-2H3
InChIKeyACYIIUFLBQRJMG-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.68
Rot. Bonds11

About N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine

N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 106907788) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
PubChem CID106907788
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCCCCOCc1cccc(CNCCC)n1
InChIInChI=1S/C16H28N2O/c1-3-5-6-7-12-19-14-16-10-8-9-15(18-16)13-17-11-4-2/h8-10,17H,3-7,11-14H2,1-2H3
InChIKeyACYIIUFLBQRJMG-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
N-[[6-(3,3,3-trifluoropropoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106908609
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
2-[[6-(methoxymethyl)-2-pyridinyl]methoxy]-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 169173385
N-[[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907682
N-[[6-(oxan-4-yloxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907547
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106907958
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282

Frequently Asked Questions

What is the IUPAC name of N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine (CID 106907788) is N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine is CCCCCCOCc1cccc(CNCCC)n1.
What is the InChIKey of N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is ACYIIUFLBQRJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-6-7-12-19-14-16-10-8-9-15(18-16)13-17-11-4-2/h8-10,17H,3-7,11-14H2,1-2H3.
What are the key properties of N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 106907788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).