3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine

C11H21N3O — CID 103007100

IUPAC3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCCC(N)(CCc1cnn(C)c1)COC
InChIInChI=1S/C11H21N3O/c1-4-11(12,9-15-3)6-5-10-7-13-14(2)8-10/h7-8H,4-6,9,12H2,1-3H3
InChIKeyMYSJNWMSJUSCOF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds6

About 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine

3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine (PubChem CID 103007100) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
PubChem CID103007100
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCCC(N)(CCc1cnn(C)c1)COC
InChIInChI=1S/C11H21N3O/c1-4-11(12,9-15-3)6-5-10-7-13-14(2)8-10/h7-8H,4-6,9,12H2,1-3H3
InChIKeyMYSJNWMSJUSCOF-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

2-ethyl-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014422
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
1-methyl-4-propylpyrazole;propane
CID 155742221
1-amino-2-methyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103006669
2-fluoro-2-[2-(1-methylpyrazol-4-yl)ethyl]pentan-1-amine
CID 103023204
2-(aminomethyl)-2-methyl-4-(1-methylpyrazol-4-yl)butan-1-ol
CID 106506219
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
4-(2-isocyanoethyl)-1-methylpyrazole
CID 83478886
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine (CID 103007100) is 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine is CCC(N)(CCc1cnn(C)c1)COC.
What is the InChIKey of 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine?
The InChIKey is MYSJNWMSJUSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(12,9-15-3)6-5-10-7-13-14(2)8-10/h7-8H,4-6,9,12H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine?
3-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-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-(methoxymethyl)-1-(1-methylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 103007100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).