N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine

C10H19N3O — CID 116793470

IUPACN,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
SMILESCNCC(C)(C)COc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-10(2,7-11-3)8-14-9-5-12-13(4)6-9/h5-6,11H,7-8H2,1-4H3
InChIKeyWAKMTIKRZYLOGT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.04
Rot. Bonds5

About N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine

N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 116793470) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
PubChem CID116793470
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
SMILESCNCC(C)(C)COc1cnn(C)c1
InChIInChI=1S/C10H19N3O/c1-10(2,7-11-3)8-14-9-5-12-13(4)6-9/h5-6,11H,7-8H2,1-4H3
InChIKeyWAKMTIKRZYLOGT-UHFFFAOYSA-N
XLogP1.04
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.04
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
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
N,2,2-trimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 79628455
N-tert-butyl-2-(1-methylpyrazol-4-yl)oxyacetamide
CID 115753072
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
3-(3-iodophenoxy)-N,2,2-trimethylpropan-1-amine
CID 79626895
N,2,2-trimethyl-3-quinolin-3-yloxypropan-1-amine
CID 107387869
2-methyl-N-[[2-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 116793343
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
N,2,2-trimethyl-3-[4-(2-methylbutan-2-yl)phenoxy]propan-1-amine
CID 79626869
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
CID 116793733

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine (CID 116793470) is N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine is CNCC(C)(C)COc1cnn(C)c1.
What is the InChIKey of N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is WAKMTIKRZYLOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,7-11-3)8-14-9-5-12-13(4)6-9/h5-6,11H,7-8H2,1-4H3.
What are the key properties of N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine?
N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 116793470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).