1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine

C12H23N3O — CID 103030498

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCn1nccc1CCC(N)COC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-12(2,3)16-9-10(13)5-6-11-7-8-14-15(11)4/h7-8,10H,5-6,9,13H2,1-4H3
InChIKeySHDYLFNNLHARHD-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.50
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine

1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103030498) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103030498
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCn1nccc1CCC(N)COC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-12(2,3)16-9-10(13)5-6-11-7-8-14-15(11)4/h7-8,10H,5-6,9,13H2,1-4H3
InChIKeySHDYLFNNLHARHD-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
CID 103010021
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011051
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103030498) is 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine is Cn1nccc1CCC(N)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is SHDYLFNNLHARHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,3)16-9-10(13)5-6-11-7-8-14-15(11)4/h7-8,10H,5-6,9,13H2,1-4H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103030498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).