5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine

C13H25N3O — CID 116793720

IUPAC5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-11(2)5-6-12(3)14-7-8-17-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3
InChIKeyMCOLUVISBUUEPE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds8

About 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine

5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine (PubChem CID 116793720) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
PubChem CID116793720
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-11(2)5-6-12(3)14-7-8-17-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3
InChIKeyMCOLUVISBUUEPE-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
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

3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697
1-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrazole
CID 106458443
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116793723
N-(3-methylbutyl)-2-(1-methylpyrazol-4-yl)oxypropanamide
CID 116793941
N-[2-(4-chloro-3-ethylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63516682

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine (CID 116793720) is 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine is CC(C)CCC(C)NCCOc1cnn(C)c1.
What is the InChIKey of 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine?
The InChIKey is MCOLUVISBUUEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)5-6-12(3)14-7-8-17-13-9-15-16(4)10-13/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine?
5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]hexan-2-amine is sourced from PubChem (CID 116793720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).