N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine

C15H19N3O — CID 105075104

IUPACN-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1OCCCc1ccncc1
InChIInChI=1S/C15H19N3O/c1-16-11-14-6-9-18-12-15(14)19-10-2-3-13-4-7-17-8-5-13/h4-9,12,16H,2-3,10-11H2,1H3
InChIKeyHIAYUGUVBUJLRL-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.21
Rot. Bonds7

About N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine

N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine (PubChem CID 105075104) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
PubChem CID105075104
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine
SMILESCNCc1ccncc1OCCCc1ccncc1
InChIInChI=1S/C15H19N3O/c1-16-11-14-6-9-18-12-15(14)19-10-2-3-13-4-7-17-8-5-13/h4-9,12,16H,2-3,10-11H2,1H3
InChIKeyHIAYUGUVBUJLRL-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.21
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

N-methyl-1-[3-(3-methylbutoxy)-4-pyridinyl]methanamine
CID 105074964
N,N-diethyl-2-[[4-(methylaminomethyl)-3-pyridinyl]oxy]ethanamine
CID 105075378
1-[3-(3-methoxy-3-methylbutoxy)-4-pyridinyl]-N-methylmethanamine
CID 106667450
N-methyl-1-(3-prop-2-enoxy-4-pyridinyl)methanamine
CID 105074848
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 105073101
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 134568908
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
5-(chloromethyl)-2-methyl-4-(3-pyridin-4-ylpropoxy)pyridine
CID 81235009
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine (CID 105075104) is N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine is CNCc1ccncc1OCCCc1ccncc1.
What is the InChIKey of N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine?
The InChIKey is HIAYUGUVBUJLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-16-11-14-6-9-18-12-15(14)19-10-2-3-13-4-7-17-8-5-13/h4-9,12,16H,2-3,10-11H2,1H3.
What are the key properties of N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine?
N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-pyridin-4-ylpropoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 105075104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).