3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine

C12H23N3O — CID 103027195

IUPAC3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(N)CC(C)(C)OC
InChIInChI=1S/C12H23N3O/c1-5-8-15-11(6-7-14-15)10(13)9-12(2,3)16-4/h6-7,10H,5,8-9,13H2,1-4H3
InChIKeyPFSJBYNSSVLIHQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.11
Rot. Bonds6

About 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine

3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine (PubChem CID 103027195) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
PubChem CID103027195
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
SMILESCCCn1nccc1C(N)CC(C)(C)OC
InChIInChI=1S/C12H23N3O/c1-5-8-15-11(6-7-14-15)10(13)9-12(2,3)16-4/h6-7,10H,5,8-9,13H2,1-4H3
InChIKeyPFSJBYNSSVLIHQ-UHFFFAOYSA-N
XLogP2.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine (CID 103027195) is 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine is CCCn1nccc1C(N)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
The InChIKey is PFSJBYNSSVLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-8-15-11(6-7-14-15)10(13)9-12(2,3)16-4/h6-7,10H,5,8-9,13H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine?
3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 103027195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).