N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine

C14H25N3O — CID 63993512

IUPACN',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cccc(OC)n1
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)11-7-10-15-12-13-8-6-9-14(16-13)18-3/h6,8-9,15H,4-5,7,10-12H2,1-3H3
InChIKeyLTOQLJQCODQZMW-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.91
Rot. Bonds9

About N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine

N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 63993512) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID63993512
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCCN(CC)CCCNCc1cccc(OC)n1
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)11-7-10-15-12-13-8-6-9-14(16-13)18-3/h6,8-9,15H,4-5,7,10-12H2,1-3H3
InChIKeyLTOQLJQCODQZMW-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

3-bromo-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 114293547
6-iodo-N-[(6-methoxy-2-pyridinyl)methyl]hexan-1-amine
CID 107844830
N-[(6-methoxy-2-pyridinyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 103347430
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877
N,N-dimethyl-3-[[6-(propylaminomethyl)-2-pyridinyl]oxy]propan-1-amine
CID 62298223
3-[2-[(6-methoxy-2-pyridinyl)methylamino]ethyl]-1,1-dimethylurea
CID 83121386
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750
N-[(1-ethylcyclopropyl)methyl]-1-(6-methoxy-2-pyridinyl)methanamine
CID 103527465
N-(2-chloroethyl)-N-[(6-methoxy-2-pyridinyl)methyl]butan-1-amine
CID 63984550
N-[[6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 55058800
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720446

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine (CID 63993512) is N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine is CCN(CC)CCCNCc1cccc(OC)n1.
What is the InChIKey of N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is LTOQLJQCODQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17(5-2)11-7-10-15-12-13-8-6-9-14(16-13)18-3/h6,8-9,15H,4-5,7,10-12H2,1-3H3.
What are the key properties of N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine?
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine 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'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63993512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).