N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine

C14H21N5 — CID 55145577

IUPACN-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(CN(C)Cc2nccn2C)cn1
InChIInChI=1S/C14H21N5/c1-4-15-13-6-5-12(9-17-13)10-18(2)11-14-16-7-8-19(14)3/h5-9H,4,10-11H2,1-3H3,(H,15,17)
InChIKeyLJUKUSYPSIFLOF-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.88
Rot. Bonds6

About N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine

N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine (PubChem CID 55145577) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
PubChem CID55145577
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
SMILESCCNc1ccc(CN(C)Cc2nccn2C)cn1
InChIInChI=1S/C14H21N5/c1-4-15-13-6-5-12(9-17-13)10-18(2)11-14-16-7-8-19(14)3/h5-9H,4,10-11H2,1-3H3,(H,15,17)
InChIKeyLJUKUSYPSIFLOF-UHFFFAOYSA-N
XLogP1.88
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335
5-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55046066
N-ethyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-2-amine
CID 62208787
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607364
2-[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]acetohydrazide
CID 105351792
5-[(N,4-dimethylanilino)methyl]-N-ethylpyridin-2-amine
CID 55046130
1-[[[6-(ethylamino)-3-pyridinyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114953204
6-N-ethyl-4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 80831186
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
N-[[3-bromo-4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 102770892
N-ethyl-5-[(3-fluoro-N-methylanilino)methyl]pyridin-2-amine
CID 62207366

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine (CID 55145577) is N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine is CCNc1ccc(CN(C)Cc2nccn2C)cn1.
What is the InChIKey of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
The InChIKey is LJUKUSYPSIFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-15-13-6-5-12(9-17-13)10-18(2)11-14-16-7-8-19(14)3/h5-9H,4,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine?
N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 55145577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).