6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

C13H25N3O — CID 103029900

IUPAC6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCOCCCC(CCc1cnn(C)c1)NC
InChIInChI=1S/C13H25N3O/c1-4-17-9-5-6-13(14-2)8-7-12-10-15-16(3)11-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyJNBQOBNPCOIOGU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds9

About 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine

6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 103029900) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
PubChem CID103029900
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCOCCCC(CCc1cnn(C)c1)NC
InChIInChI=1S/C13H25N3O/c1-4-17-9-5-6-13(14-2)8-7-12-10-15-16(3)11-12/h10-11,13-14H,4-9H2,1-3H3
InChIKeyJNBQOBNPCOIOGU-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
1-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxa-2-azaspiro(3.5)nonane
CID 137832709
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
2-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 75446646
Rac-[(2r,3s)-2-(1-methyl-1h-pyrazol-4-yl)oxan-3-yl]methanamine
CID 124507216
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992
N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024993
1-(1-ethylpyrazol-4-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024996

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine (CID 103029900) is 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is CCOCCCC(CCc1cnn(C)c1)NC.
What is the InChIKey of 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
The InChIKey is JNBQOBNPCOIOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-17-9-5-6-13(14-2)8-7-12-10-15-16(3)11-12/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine?
6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 103029900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).