(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine

C14H20N4 — CID 99948670

IUPAC(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCc1ncc(CN(C)[C@H](C)c2cccnc2)n1C
InChIInChI=1S/C14H20N4/c1-11(13-6-5-7-15-8-13)17(3)10-14-9-16-12(2)18(14)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeyMWVYMXOHGILMPO-LLVKDONJSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds4

About (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine

(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine (PubChem CID 99948670) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
PubChem CID99948670
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
SMILESCc1ncc(CN(C)[C@H](C)c2cccnc2)n1C
InChIInChI=1S/C14H20N4/c1-11(13-6-5-7-15-8-13)17(3)10-14-9-16-12(2)18(14)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1
InChIKeyMWVYMXOHGILMPO-LLVKDONJSA-N
XLogP2.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 86790235
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
(1R)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-pyridin-3-ylethanamine
CID 95119543
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 56760298
N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77080069
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99820131
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanamine
CID 166244098
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 71908460
3-methyl-6-[[methyl(1-pyridin-3-ylethyl)amino]methyl]-1,3-benzothiazol-2-one
CID 91653501
2-[3-[[methyl(1-pyridin-3-ylethyl)amino]methyl]phenoxy]acetamide
CID 77081738
N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 77081354
(1S)-N-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 99928863

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine (CID 99948670) is (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine is Cc1ncc(CN(C)[C@H](C)c2cccnc2)n1C.
What is the InChIKey of (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
The InChIKey is MWVYMXOHGILMPO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(13-6-5-7-15-8-13)17(3)10-14-9-16-12(2)18(14)4/h5-9,11H,10H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine?
(1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,3-dimethylimidazol-4-yl)methyl]-N-methyl-1-pyridin-3-ylethanamine is sourced from PubChem (CID 99948670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).