N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

C15H22N4O — CID 107447047

IUPACN-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(-n2cncc2CNC(C)(C)C)cn1
InChIInChI=1S/C15H22N4O/c1-5-20-14-7-6-12(9-17-14)19-11-16-8-13(19)10-18-15(2,3)4/h6-9,11,18H,5,10H2,1-4H3
InChIKeyNUYLGQMSAYYRAI-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.55
Rot. Bonds5

About N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107447047) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107447047
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccc(-n2cncc2CNC(C)(C)C)cn1
InChIInChI=1S/C15H22N4O/c1-5-20-14-7-6-12(9-17-14)19-11-16-8-13(19)10-18-15(2,3)4/h6-9,11,18H,5,10H2,1-4H3
InChIKeyNUYLGQMSAYYRAI-UHFFFAOYSA-N
XLogP2.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-ethoxy-3-fluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107447060
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
2-methyl-N-[[3-(4-methylsulfanylphenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107446913
N-[[3-(2-ethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446918
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721261
tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate
CID 104952013
N-[[3-(2-chlorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446934
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
N-[[3-(2,4-difluorophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446928
2-methyl-N-[[3-(2,4,5-trifluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 107447022
N-[[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107608528
N-[[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446960

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107447047) is N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is CCOc1ccc(-n2cncc2CNC(C)(C)C)cn1.
What is the InChIKey of N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NUYLGQMSAYYRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-20-14-7-6-12(9-17-14)19-11-16-8-13(19)10-18-15(2,3)4/h6-9,11,18H,5,10H2,1-4H3.
What are the key properties of N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107447047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).