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

C14H27N3O — CID 116803505

IUPAC2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCC(C)(C)CNC(C)C)cn1
InChIInChI=1S/C14H27N3O/c1-6-7-17-9-13(8-16-17)18-11-14(4,5)10-15-12(2)3/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeySUEAYFIEYZCGST-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.70
Rot. Bonds8

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

2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 116803505) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
PubChem CID116803505
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCC(C)(C)CNC(C)C)cn1
InChIInChI=1S/C14H27N3O/c1-6-7-17-9-13(8-16-17)18-11-14(4,5)10-15-12(2)3/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeySUEAYFIEYZCGST-UHFFFAOYSA-N
XLogP2.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
2-methyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 103075179
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
4-propoxy-1-propylpyrazole
CID 116805185
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
4-(3-bromo-2,2-dimethylpropoxy)-1-ethylpyrazole
CID 116800878
N,2,2-trimethyl-3-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793470
4-[2-(bromomethyl)-3-methylbutoxy]-1-propylpyrazole
CID 116800925
N-(2-methylpropyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804964
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
N-[[6-(1-propylpyrazol-4-yl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 116802934
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (CID 116803505) is 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is CCCn1cc(OCC(C)(C)CNC(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is SUEAYFIEYZCGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-6-7-17-9-13(8-16-17)18-11-14(4,5)10-15-12(2)3/h8-9,12,15H,6-7,10-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-yl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 116803505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).