2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine

C13H25N3O — CID 103075179

IUPAC2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCC(C)CNC(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-5-6-16-9-13(8-15-16)17-10-12(4)7-14-11(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyTVVAEHPUJAYYES-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.31
Rot. Bonds8

About 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine

2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 103075179) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
PubChem CID103075179
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCC(C)CNC(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-5-6-16-9-13(8-15-16)17-10-12(4)7-14-11(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyTVVAEHPUJAYYES-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803505
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-methylpropan-1-amine
CID 103075164
4-[2-(bromomethyl)-3-methylbutoxy]-1-propylpyrazole
CID 116800925
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
4-propoxy-1-propylpyrazole
CID 116805185
1-ethyl-4-(2-methylbutoxy)pyrazole
CID 116804469
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (CID 103075179) is 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is CCCn1cc(OCC(C)CNC(C)C)cn1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is TVVAEHPUJAYYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-16-9-13(8-15-16)17-10-12(4)7-14-11(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 103075179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).