ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine

C13H31N3 — CID 156847760

IUPACethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
SMILESCC.CC.CC.CNCCn1nccc1C
InChIInChI=1S/C7H13N3.3C2H6/c1-7-3-4-9-10(7)6-5-8-2;3*1-2/h3-4,8H,5-6H2,1-2H3;3*1-2H3
InChIKeyJNXWLJGCLCJSFW-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.49
Rot. Bonds3

About ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine

ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine (PubChem CID 156847760) has the molecular formula C13H31N3 and a molecular weight of 229.41 g/mol. Its IUPAC name is ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
PubChem CID156847760
Molecular FormulaC13H31N3
Molecular Weight229.41 g/mol
Exact Mass229.25
IUPAC Nameethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine
SMILESCC.CC.CC.CNCCn1nccc1C
InChIInChI=1S/C7H13N3.3C2H6/c1-7-3-4-9-10(7)6-5-8-2;3*1-2/h3-4,8H,5-6H2,1-2H3;3*1-2H3
InChIKeyJNXWLJGCLCJSFW-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine?
The IUPAC name of ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine (CID 156847760) is ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine is CC.CC.CC.CNCCn1nccc1C.
What is the InChIKey of ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine?
The InChIKey is JNXWLJGCLCJSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.3C2H6/c1-7-3-4-9-10(7)6-5-8-2;3*1-2/h3-4,8H,5-6H2,1-2H3;3*1-2H3.
What are the key properties of ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine?
ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine has a molecular weight of 229.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(5-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 156847760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).