N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

C13H17N3O — CID 114080332

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2nccnc2C)o1
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(17-9)8-16-11(3)13-10(2)14-6-7-15-13/h4-7,11,16H,8H2,1-3H3
InChIKeyHYZKOOSWBHOFEI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 114080332) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID114080332
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1ccc(CNC(C)c2nccnc2C)o1
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(17-9)8-16-11(3)13-10(2)14-6-7-15-13/h4-7,11,16H,8H2,1-3H3
InChIKeyHYZKOOSWBHOFEI-UHFFFAOYSA-N
XLogP2.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(furan-2-yl)methyl]pyridin-3-amine
CID 4962056
N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 841630
N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 3237419
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 3242935
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(2-furanylmethyl)-2-pyridinecarboxamide
CID 3964693
5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 903686
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 744557
3-(5-methyl-2-furyl)-N-(2-pyridinylmethyl)acrylamide
CID 844091
3-(5-methyl-2-furyl)-N-(3-pyridinyl)acrylamide
CID 868699
N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 789032
Furan-2-carboxylic acid {2-[(pyridin-2-ylmethyl)-amino]-ethyl}-amide hydrobromide
CID 16192785
N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine
CID 238327

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 114080332) is N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1ccc(CNC(C)c2nccnc2C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is HYZKOOSWBHOFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-12(17-9)8-16-11(3)13-10(2)14-6-7-15-13/h4-7,11,16H,8H2,1-3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 114080332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).