2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C14H20N4 — CID 63109062

IUPAC2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2cccnc2)[nH]1
InChIInChI=1S/C14H20N4/c1-14(2,3)17-10-12-9-16-13(18-12)7-11-5-4-6-15-8-11/h4-6,8-9,17H,7,10H2,1-3H3,(H,16,18)
InChIKeyQMSLBXRQZXVDSZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109062) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109062
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2cccnc2)[nH]1
InChIInChI=1S/C14H20N4/c1-14(2,3)17-10-12-9-16-13(18-12)7-11-5-4-6-15-8-11/h4-6,8-9,17H,7,10H2,1-3H3,(H,16,18)
InChIKeyQMSLBXRQZXVDSZ-UHFFFAOYSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109029
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
N-[(2-benzyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63108604
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
N-[[2-[2-(diethylamino)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63109005
4-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 105073020
N'-tert-butyl-N-(3-pyridin-3-ylpropyl)propane-1,3-diamine
CID 113410445
3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
CID 18700646
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109062) is 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)(C)NCc1cnc(Cc2cccnc2)[nH]1.
What is the InChIKey of 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is QMSLBXRQZXVDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,3)17-10-12-9-16-13(18-12)7-11-5-4-6-15-8-11/h4-6,8-9,17H,7,10H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(pyridin-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).