2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine

C11H21N3O — CID 116803544

IUPAC2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCC(C)(C)CN)cn1
InChIInChI=1S/C11H21N3O/c1-4-5-14-7-10(6-13-14)15-9-11(2,3)8-12/h6-7H,4-5,8-9,12H2,1-3H3
InChIKeyYPAQWJOKMNYCLE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.66
Rot. Bonds6

About 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine

2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 116803544) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
PubChem CID116803544
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCC(C)(C)CN)cn1
InChIInChI=1S/C11H21N3O/c1-4-5-14-7-10(6-13-14)15-9-11(2,3)8-12/h6-7H,4-5,8-9,12H2,1-3H3
InChIKeyYPAQWJOKMNYCLE-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803505
4-propoxy-1-propylpyrazole
CID 116805185
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 114526853
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
[5-(1-propylpyrazol-4-yl)oxypyrazin-2-yl]methanamine
CID 116800165
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
4-[(Z)-2,3-dichloroprop-2-enoxy]-1-propylpyrazole
CID 116804883
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (CID 116803544) is 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is CCCn1cc(OCC(C)(C)CN)cn1.
What is the InChIKey of 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is YPAQWJOKMNYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-14-7-10(6-13-14)15-9-11(2,3)8-12/h6-7H,4-5,8-9,12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 116803544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).