3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine

C12H23N3O — CID 103024939

IUPAC3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(N)CC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-5-6-15-9-10(8-14-15)11(13)7-12(2,3)16-4/h8-9,11H,5-7,13H2,1-4H3
InChIKeyVITFVDXRIWJLSK-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.11
Rot. Bonds6

About 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine

3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine (PubChem CID 103024939) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
PubChem CID103024939
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
SMILESCCCn1cc(C(N)CC(C)(C)OC)cn1
InChIInChI=1S/C12H23N3O/c1-5-6-15-9-10(8-14-15)11(13)7-12(2,3)16-4/h8-9,11H,5-7,13H2,1-4H3
InChIKeyVITFVDXRIWJLSK-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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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338512
1-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]ethanamine
CID 103037028
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65127516
2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine (CID 103024939) is 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine is CCCn1cc(C(N)CC(C)(C)OC)cn1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
The InChIKey is VITFVDXRIWJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-15-9-10(8-14-15)11(13)7-12(2,3)16-4/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine?
3-methoxy-3-methyl-1-(1-propylpyrazol-4-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-(1-propylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103024939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).