1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine

C12H23N3 — CID 115858222

IUPAC1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccnn1CC
InChIInChI=1S/C12H23N3/c1-4-6-7-8-11(13-3)12-9-10-14-15(12)5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyDGTCBNCYBBKIEN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.74
Rot. Bonds7

About 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine

1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine (PubChem CID 115858222) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
PubChem CID115858222
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
SMILESCCCCCC(NC)c1ccnn1CC
InChIInChI=1S/C12H23N3/c1-4-6-7-8-11(13-3)12-9-10-14-15(12)5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyDGTCBNCYBBKIEN-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
CID 105148476
N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
CID 105148145
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
2-(2-bromophenyl)-1-(2-ethylpyrazol-3-yl)-N-methylethanamine
CID 63976182
1-(2-ethylpyrazol-3-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105148244
1-(2-ethylpyrazol-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987048
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
[1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropyl]hydrazine
CID 105307223

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine (CID 115858222) is 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine is CCCCCC(NC)c1ccnn1CC.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine?
The InChIKey is DGTCBNCYBBKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-8-11(13-3)12-9-10-14-15(12)5-2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine?
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine is sourced from PubChem (CID 115858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).