3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine

C11H21N3O — CID 116718521

IUPAC3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
SMILESCCCC(OC)C(N)Cc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-4-5-11(15-3)10(12)6-9-7-13-14(2)8-9/h7-8,10-11H,4-6,12H2,1-3H3
InChIKeyUGZMNBKRTRLYIE-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds6

About 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine

3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine (PubChem CID 116718521) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine.

Molecular Properties

Compound Name3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
PubChem CID116718521
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine
SMILESCCCC(OC)C(N)Cc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-4-5-11(15-3)10(12)6-9-7-13-14(2)8-9/h7-8,10-11H,4-6,12H2,1-3H3
InChIKeyUGZMNBKRTRLYIE-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884
1-(furan-3-yl)-3-methoxyhexan-2-amine
CID 116718509
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
ethyl 2-chloro-3-(1-methylpyrazol-4-yl)propanoate
CID 83197701
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102950597
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
5,5,5-trifluoro-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 79954244

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine?
The IUPAC name of 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine (CID 116718521) is 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine.
What is the SMILES notation for 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine?
The canonical SMILES for 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine is CCCC(OC)C(N)Cc1cnn(C)c1.
What is the InChIKey of 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine?
The InChIKey is UGZMNBKRTRLYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-11(15-3)10(12)6-9-7-13-14(2)8-9/h7-8,10-11H,4-6,12H2,1-3H3.
What are the key properties of 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine?
3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-methylpyrazol-4-yl)hexan-2-amine is sourced from PubChem (CID 116718521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).