N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine

C14H25N3O — CID 62298223

IUPACN,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
SMILESCCCNCc1cccc(OCCCN(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-9-15-12-13-7-5-8-14(16-13)18-11-6-10-17(2)3/h5,7-8,15H,4,6,9-12H2,1-3H3
InChIKeyPDAFGIWVEDGBHQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.91
Rot. Bonds9

About N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine (PubChem CID 62298223) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
PubChem CID62298223
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
SMILESCCCNCc1cccc(OCCCN(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-9-15-12-13-7-5-8-14(16-13)18-11-6-10-17(2)3/h5,7-8,15H,4,6,9-12H2,1-3H3
InChIKeyPDAFGIWVEDGBHQ-UHFFFAOYSA-N
XLogP1.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
3-[[6-(2,2-dimethylpropyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 70847455
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967
N-[[6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296086
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
N-[[6-(2,3,6-trimethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62322224
N-[[6-(4-ethylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298336
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine (CID 62298223) is N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine is CCCNCc1cccc(OCCCN(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is PDAFGIWVEDGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-9-15-12-13-7-5-8-14(16-13)18-11-6-10-17(2)3/h5,7-8,15H,4,6,9-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 62298223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).