1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine

C15H26N2O — CID 105026088

IUPAC1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1cncc(OC)c1
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-15(17-9-5-2)13-10-14(18-3)12-16-11-13/h10-12,15,17H,4-9H2,1-3H3
InChIKeyOBCFPSPQWSTETQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.71
Rot. Bonds9

About 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine

1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine (PubChem CID 105026088) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
PubChem CID105026088
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
SMILESCCCCCC(NCCC)c1cncc(OC)c1
InChIInChI=1S/C15H26N2O/c1-4-6-7-8-15(17-9-5-2)13-10-14(18-3)12-16-11-13/h10-12,15,17H,4-9H2,1-3H3
InChIKeyOBCFPSPQWSTETQ-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.71
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

1-(5-methoxy-3-pyridinyl)heptylhydrazine
CID 105329844
1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105175318
3-cyclopentyl-1-(5-methoxy-3-pyridinyl)-N-propylpropan-1-amine
CID 105025931
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 105026112
N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)hexan-1-amine
CID 105027344
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
[4-ethoxy-1-(5-methoxy-3-pyridinyl)butyl]hydrazine
CID 105329751
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine (CID 105026088) is 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine is CCCCCC(NCCC)c1cncc(OC)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine?
The InChIKey is OBCFPSPQWSTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-6-7-8-15(17-9-5-2)13-10-14(18-3)12-16-11-13/h10-12,15,17H,4-9H2,1-3H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine?
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine is sourced from PubChem (CID 105026088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).