N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine

C14H20N4O — CID 63984535

IUPACN-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1cccc(OC)n1
InChIInChI=1S/C14H20N4O/c1-3-7-15-10-13-16-8-9-18(13)11-12-5-4-6-14(17-12)19-2/h4-6,8-9,15H,3,7,10-11H2,1-2H3
InChIKeyVGTIYNCMEAWBRW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds7

About N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine

N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 63984535) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID63984535
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1cccc(OC)n1
InChIInChI=1S/C14H20N4O/c1-3-7-15-10-13-16-8-9-18(13)11-12-5-4-6-14(17-12)19-2/h4-6,8-9,15H,3,7,10-11H2,1-2H3
InChIKeyVGTIYNCMEAWBRW-UHFFFAOYSA-N
XLogP1.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(quinolin-2-ylmethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62222860
2-methoxy-N-[[1-[(6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79261740
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 82896241
N-[[1-[(2,6-dichlorophenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048807
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 103173671
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66188581
3-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]aniline
CID 63985676
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrazol-1-ylethanamine
CID 63984877
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]propan-1-amine
CID 63992362
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
2-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 63984535) is N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1cccc(OC)n1.
What is the InChIKey of N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is VGTIYNCMEAWBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-7-15-10-13-16-8-9-18(13)11-12-5-4-6-14(17-12)19-2/h4-6,8-9,15H,3,7,10-11H2,1-2H3.
What are the key properties of N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63984535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).