N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine

C13H18N4 — CID 112651274

IUPACN-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ncccc2C)cn1
InChIInChI=1S/C13H18N4/c1-11-4-3-6-15-13(11)9-17-8-12(16-10-17)5-7-14-2/h3-4,6,8,10,14H,5,7,9H2,1-2H3
InChIKeyLVLVQHVJEDHWHZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.40
Rot. Bonds5

About N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine

N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine (PubChem CID 112651274) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
PubChem CID112651274
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine
SMILESCNCCc1cn(Cc2ncccc2C)cn1
InChIInChI=1S/C13H18N4/c1-11-4-3-6-15-13(11)9-17-8-12(16-10-17)5-7-14-2/h3-4,6,8,10,14H,5,7,9H2,1-2H3
InChIKeyLVLVQHVJEDHWHZ-UHFFFAOYSA-N
XLogP1.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
CID 79985574
2-[1-[(1-ethylindazol-3-yl)methyl]imidazol-4-yl]-N-methylethanamine
CID 79972718
N-methyl-2-[1-(naphthalen-1-ylmethyl)imidazol-4-yl]ethanamine
CID 79985728
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
N-methyl-2-[1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103014178
N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
CID 79985899
N-methyl-2-[1-(2-propan-2-yloxyethyl)imidazol-4-yl]ethanamine
CID 79985732
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]-N-methylethanamine
CID 113455792
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]-N-methylethanamine
CID 79984925
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine (CID 112651274) is N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine is CNCCc1cn(Cc2ncccc2C)cn1.
What is the InChIKey of N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is LVLVQHVJEDHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11-4-3-6-15-13(11)9-17-8-12(16-10-17)5-7-14-2/h3-4,6,8,10,14H,5,7,9H2,1-2H3.
What are the key properties of N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine?
N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 112651274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).