N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine

C13H18N4 — CID 106718891

IUPACN-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncc(C)c2)cn1
InChIInChI=1S/C13H18N4/c1-3-14-7-13-9-17(10-16-13)8-12-4-11(2)5-15-6-12/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKeyGYLODQRZHYUGDY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.74
Rot. Bonds5

About N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718891) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718891
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2cncc(C)c2)cn1
InChIInChI=1S/C13H18N4/c1-3-14-7-13-9-17(10-16-13)8-12-4-11(2)5-15-6-12/h4-6,9-10,14H,3,7-8H2,1-2H3
InChIKeyGYLODQRZHYUGDY-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 106718523
N-[[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718876
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719982
1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-amine
CID 165473180
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718824
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718718
N-methyl-1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 83886789
N-[2-[1-[(5-bromo-3-pyridinyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 104810309
N-[[1-[(2-methylquinolin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718858
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
N-ethyl-2-(5-methyl-3-pyridinyl)ethanamine
CID 115375184
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 106718863

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine (CID 106718891) is N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(Cc2cncc(C)c2)cn1.
What is the InChIKey of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is GYLODQRZHYUGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-14-7-13-9-17(10-16-13)8-12-4-11(2)5-15-6-12/h4-6,9-10,14H,3,7-8H2,1-2H3.
What are the key properties of N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-3-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).