6-(pentoxymethyl)-N-propylpyridin-2-amine

C14H24N2O — CID 79238780

IUPAC6-(pentoxymethyl)-N-propylpyridin-2-amine
SMILESCCCCCOCc1cccc(NCCC)n1
InChIInChI=1S/C14H24N2O/c1-3-5-6-11-17-12-13-8-7-9-14(16-13)15-10-4-2/h7-9H,3-6,10-12H2,1-2H3,(H,15,16)
InChIKeyKXLBMTLXUQOHRH-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.61
Rot. Bonds9

About 6-(pentoxymethyl)-N-propylpyridin-2-amine

6-(pentoxymethyl)-N-propylpyridin-2-amine (PubChem CID 79238780) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-(pentoxymethyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(pentoxymethyl)-N-propylpyridin-2-amine
PubChem CID79238780
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name6-(pentoxymethyl)-N-propylpyridin-2-amine
SMILESCCCCCOCc1cccc(NCCC)n1
InChIInChI=1S/C14H24N2O/c1-3-5-6-11-17-12-13-8-7-9-14(16-13)15-10-4-2/h7-9H,3-6,10-12H2,1-2H3,(H,15,16)
InChIKeyKXLBMTLXUQOHRH-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.61
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

6-[2-(2-methoxyethoxy)ethoxymethyl]-N-propylpyridin-2-amine
CID 104565921
6-(2-propan-2-yloxyethoxymethyl)-N-propylpyridin-2-amine
CID 79240041
N-propyl-6-(3,3,3-trifluoropropoxymethyl)pyridin-2-amine
CID 82957468
N-[[6-(hexoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907788
6-(1-methoxypropan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 79239046
N-[[6-(2-butoxyethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106907746
2-N,6-N-dipentylpyridine-2,6-diamine
CID 66709787
[3-[[6-(propylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79238949
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
6-[(3,5-dimethylcyclohexyl)oxymethyl]-N-propylpyridin-2-amine
CID 79239128
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
CID 79234138
6-(2-butoxyethoxymethyl)pyridin-2-amine
CID 79238771

Frequently Asked Questions

What is the IUPAC name of 6-(pentoxymethyl)-N-propylpyridin-2-amine?
The IUPAC name of 6-(pentoxymethyl)-N-propylpyridin-2-amine (CID 79238780) is 6-(pentoxymethyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(pentoxymethyl)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(pentoxymethyl)-N-propylpyridin-2-amine is CCCCCOCc1cccc(NCCC)n1.
What is the InChIKey of 6-(pentoxymethyl)-N-propylpyridin-2-amine?
The InChIKey is KXLBMTLXUQOHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-6-11-17-12-13-8-7-9-14(16-13)15-10-4-2/h7-9H,3-6,10-12H2,1-2H3,(H,15,16).
What are the key properties of 6-(pentoxymethyl)-N-propylpyridin-2-amine?
6-(pentoxymethyl)-N-propylpyridin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pentoxymethyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 79238780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).