N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine

C13H25N3O — CID 103029828

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)COC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-13(2,3)17-10-12(14-4)7-6-11-8-15-16(5)9-11/h8-9,12,14H,6-7,10H2,1-5H3
InChIKeyDMCUTQHDGWTULG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds6

About N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine (PubChem CID 103029828) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
PubChem CID103029828
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1cnn(C)c1)COC(C)(C)C
InChIInChI=1S/C13H25N3O/c1-13(2,3)17-10-12(14-4)7-6-11-8-15-16(5)9-11/h8-9,12,14H,6-7,10H2,1-5H3
InChIKeyDMCUTQHDGWTULG-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
[2-(1-methyl-1H-pyrazol-4-yl)oxolan-2-yl]methanamine
CID 132343993
1-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxa-2-azaspiro(3.5)nonane
CID 137832709
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992
N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024993

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine (CID 103029828) is N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine is CNC(CCc1cnn(C)c1)COC(C)(C)C.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
The InChIKey is DMCUTQHDGWTULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(2,3)17-10-12(14-4)7-6-11-8-15-16(5)9-11/h8-9,12,14H,6-7,10H2,1-5H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103029828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).