N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine

C13H25N3O — CID 64771673

IUPACN-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
SMILESCC(C)NCCCOCc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3O/c1-11(2)14-7-5-9-17-10-13-6-8-16(15-13)12(3)4/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyOOLWMZBQRZIASQ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds8

About N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine

N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine (PubChem CID 64771673) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
PubChem CID64771673
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine
SMILESCC(C)NCCCOCc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3O/c1-11(2)14-7-5-9-17-10-13-6-8-16(15-13)12(3)4/h6,8,11-12,14H,5,7,9-10H2,1-4H3
InChIKeyOOLWMZBQRZIASQ-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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-[(1-cyclohexylpyrazol-3-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 64785741
N-[2-[(1-cyclopentylpyrazol-3-yl)methoxy]ethyl]propan-2-amine
CID 64785550
3-(2-chloroethoxy)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 106306283
N-[2-[2-[(1-propan-2-yltriazol-4-yl)methoxy]ethoxy]ethyl]propan-2-amine
CID 171106565
1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
CID 64771213
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]propan-1-amine
CID 64783227
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-N-propan-2-ylpropan-1-amine
CID 66190937
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
3-[(3,5-dimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62342428
3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-N-propan-2-ylpropan-1-amine
CID 106598202
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine?
The IUPAC name of N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine (CID 64771673) is N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine is CC(C)NCCCOCc1ccn(C(C)C)n1.
What is the InChIKey of N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine?
The InChIKey is OOLWMZBQRZIASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)14-7-5-9-17-10-13-6-8-16(15-13)12(3)4/h6,8,11-12,14H,5,7,9-10H2,1-4H3.
What are the key properties of N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine?
N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(1-propan-2-ylpyrazol-3-yl)methoxy]propan-1-amine is sourced from PubChem (CID 64771673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).