(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine

C12H16N4 — CID 104943054

IUPAC(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1ccc(Cn2cncc2[C@@H](C)N)cn1
InChIInChI=1S/C12H16N4/c1-9-3-4-11(5-15-9)7-16-8-14-6-12(16)10(2)13/h3-6,8,10H,7,13H2,1-2H3/t10-/m1/s1
InChIKeyXOMNSZWDFIGNSZ-SNVBAGLBSA-N
MW216.29 g/mol
LogP1.65
Rot. Bonds3

About (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine

(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 104943054) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
PubChem CID104943054
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
SMILESCc1ccc(Cn2cncc2[C@@H](C)N)cn1
InChIInChI=1S/C12H16N4/c1-9-3-4-11(5-15-9)7-16-8-14-6-12(16)10(2)13/h3-6,8,10H,7,13H2,1-2H3/t10-/m1/s1
InChIKeyXOMNSZWDFIGNSZ-SNVBAGLBSA-N
XLogP1.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine (CID 104943054) is (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine is Cc1ccc(Cn2cncc2[C@@H](C)N)cn1.
What is the InChIKey of (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is XOMNSZWDFIGNSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-4-11(5-15-9)7-16-8-14-6-12(16)10(2)13/h3-6,8,10H,7,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).