N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine

C15H22N4O2 — CID 103173671

IUPACN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1nccc(OC)c1OC
InChIInChI=1S/C15H22N4O2/c1-4-6-16-10-14-18-8-9-19(14)11-12-15(21-3)13(20-2)5-7-17-12/h5,7-9,16H,4,6,10-11H2,1-3H3
InChIKeyJZUBRGKYDAZGIW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.84
Rot. Bonds8

About N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine

N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine (PubChem CID 103173671) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
PubChem CID103173671
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nccn1Cc1nccc(OC)c1OC
InChIInChI=1S/C15H22N4O2/c1-4-6-16-10-14-18-8-9-19(14)11-12-15(21-3)13(20-2)5-7-17-12/h5,7-9,16H,4,6,10-11H2,1-3H3
InChIKeyJZUBRGKYDAZGIW-UHFFFAOYSA-N
XLogP1.84
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 63984535
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
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048661
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 103173679
N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62549303
N-[[1-[(5-chlorothiophen-2-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222165
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
N-[[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66188581

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine (CID 103173671) is N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine is CCCNCc1nccn1Cc1nccc(OC)c1OC.
What is the InChIKey of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is JZUBRGKYDAZGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-6-16-10-14-18-8-9-19(14)11-12-15(21-3)13(20-2)5-7-17-12/h5,7-9,16H,4,6,10-11H2,1-3H3.
What are the key properties of N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine?
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 290.37 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103173671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).