2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

C12H16N4 — CID 61214868

IUPAC2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCn1ccnc1CCNCc1cccnc1
InChIInChI=1S/C12H16N4/c1-16-8-7-15-12(16)4-6-14-10-11-3-2-5-13-9-11/h2-3,5,7-9,14H,4,6,10H2,1H3
InChIKeyPQDHQMURERWWQF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.15
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 61214868) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID61214868
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESCn1ccnc1CCNCc1cccnc1
InChIInChI=1S/C12H16N4/c1-16-8-7-15-12(16)4-6-14-10-11-3-2-5-13-9-11/h2-3,5,7-9,14H,4,6,10H2,1H3
InChIKeyPQDHQMURERWWQF-UHFFFAOYSA-N
XLogP1.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437741
2-[3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 61212969
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115523870
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]benzamide
CID 55136863
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333307
N,N-diethyl-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]aniline
CID 61214429
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 43111957
N-[4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenyl]acetamide
CID 61214869
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 61214868) is 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is Cn1ccnc1CCNCc1cccnc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is PQDHQMURERWWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-8-7-15-12(16)4-6-14-10-11-3-2-5-13-9-11/h2-3,5,7-9,14H,4,6,10H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 61214868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).