N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine

C14H20N4O — CID 107587270

IUPACN-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
SMILESCOCCCn1cc(C)nc1Nc1cncc(C)c1
InChIInChI=1S/C14H20N4O/c1-11-7-13(9-15-8-11)17-14-16-12(2)10-18(14)5-4-6-19-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyWQSRMDJMMPLOKQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.68
Rot. Bonds6

About N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine

N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine (PubChem CID 107587270) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
PubChem CID107587270
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine
SMILESCOCCCn1cc(C)nc1Nc1cncc(C)c1
InChIInChI=1S/C14H20N4O/c1-11-7-13(9-15-8-11)17-14-16-12(2)10-18(14)5-4-6-19-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyWQSRMDJMMPLOKQ-UHFFFAOYSA-N
XLogP2.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.68
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-(4-bromo-3-methoxyphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106579189
5-methyl-N-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]pyridin-3-amine
CID 107587276
5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
CID 107587294
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
N-(2,6-dichloro-3-methylphenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106555948
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
1-(3-methoxypropyl)-4-methyl-N-(4-methyloxan-4-yl)imidazol-2-amine
CID 106580024

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine?
The IUPAC name of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine (CID 107587270) is N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine is COCCCn1cc(C)nc1Nc1cncc(C)c1.
What is the InChIKey of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine?
The InChIKey is WQSRMDJMMPLOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-7-13(9-15-8-11)17-14-16-12(2)10-18(14)5-4-6-19-3/h7-10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine?
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-5-methylpyridin-3-amine is sourced from PubChem (CID 107587270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).