N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine

C12H21N3O — CID 105063370

IUPACN'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCc1ccncc1OC
InChIInChI=1S/C12H21N3O/c1-3-5-13-7-8-15-9-11-4-6-14-10-12(11)16-2/h4,6,10,13,15H,3,5,7-9H2,1-2H3
InChIKeyADIFFFOEVKEBAW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.18
Rot. Bonds8

About N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine

N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine (PubChem CID 105063370) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
PubChem CID105063370
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine
SMILESCCCNCCNCc1ccncc1OC
InChIInChI=1S/C12H21N3O/c1-3-5-13-7-8-15-9-11-4-6-14-10-12(11)16-2/h4,6,10,13,15H,3,5,7-9H2,1-2H3
InChIKeyADIFFFOEVKEBAW-UHFFFAOYSA-N
XLogP1.18
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105074907
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075176
N'-cyclopropyl-N-[(3-methoxy-4-pyridinyl)methyl]propane-1,3-diamine
CID 105063403
N-[[3-(2-ethoxyphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075242
N-[[3-(2-butoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075013
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[3-(cyclohexylmethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075597
N-[[3-(4-bromo-2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075633
3-methoxy-4-pentylpyridine
CID 170214218
N-[[3-(2,3-dihydro-1H-inden-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075463
4-(2,2-dimethylpropyl)-3-methoxypyridine
CID 59574628

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine?
The IUPAC name of N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine (CID 105063370) is N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine is CCCNCCNCc1ccncc1OC.
What is the InChIKey of N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine?
The InChIKey is ADIFFFOEVKEBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-13-7-8-15-9-11-4-6-14-10-12(11)16-2/h4,6,10,13,15H,3,5,7-9H2,1-2H3.
What are the key properties of N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine?
N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxy-4-pyridinyl)methyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 105063370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).