[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine

C12H16N4 — CID 63889050

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCc1nccn1Cc1ccnc(CN)c1
InChIInChI=1S/C12H16N4/c1-2-12-15-5-6-16(12)9-10-3-4-14-11(7-10)8-13/h3-7H,2,8-9,13H2,1H3
InChIKeyWWHHKLRBSYFJML-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.35
Rot. Bonds4

About [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine

[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 63889050) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID63889050
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESCCc1nccn1Cc1ccnc(CN)c1
InChIInChI=1S/C12H16N4/c1-2-12-15-5-6-16(12)9-10-3-4-14-11(7-10)8-13/h3-7H,2,8-9,13H2,1H3
InChIKeyWWHHKLRBSYFJML-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine (CID 63889050) is [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine is CCc1nccn1Cc1ccnc(CN)c1.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is WWHHKLRBSYFJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-12-15-5-6-16(12)9-10-3-4-14-11(7-10)8-13/h3-7H,2,8-9,13H2,1H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine?
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63889050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).