N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine

C14H20N4 — CID 63975598

IUPACN-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1nccn1C
InChIInChI=1S/C14H20N4/c1-3-6-16-13(14-17-8-9-18(14)2)10-12-5-4-7-15-11-12/h4-5,7-9,11,13,16H,3,6,10H2,1-2H3
InChIKeyZGKBAEWQZOKELF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds6

About N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 63975598) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID63975598
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)c1nccn1C
InChIInChI=1S/C14H20N4/c1-3-6-16-13(14-17-8-9-18(14)2)10-12-5-4-7-15-11-12/h4-5,7-9,11,13,16H,3,6,10H2,1-2H3
InChIKeyZGKBAEWQZOKELF-UHFFFAOYSA-N
XLogP2.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromo-3-pyridinyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 104803654
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-(2-pyridin-3-yl-1-pyridin-4-ylethyl)propan-1-amine
CID 104736220
N-[1-(furan-3-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 63949988
[1-(1-propylimidazol-2-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105212135
N-[1-(3-fluoro-2-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736677
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(3,5-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62791253

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine (CID 63975598) is N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is ZGKBAEWQZOKELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-6-16-13(14-17-8-9-18(14)2)10-12-5-4-7-15-11-12/h4-5,7-9,11,13,16H,3,6,10H2,1-2H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 63975598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).