2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol

C11H21N3O — CID 115888089

IUPAC2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCCC(C)CNC(CO)c1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-4-9(2)5-12-11(8-15)10-6-13-14(3)7-10/h6-7,9,11-12,15H,4-5,8H2,1-3H3
InChIKeyNRHROZVUZAOHGH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.09
Rot. Bonds6

About 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol

2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115888089) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115888089
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCCC(C)CNC(CO)c1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-4-9(2)5-12-11(8-15)10-6-13-14(3)7-10/h6-7,9,11-12,15H,4-5,8H2,1-3H3
InChIKeyNRHROZVUZAOHGH-UHFFFAOYSA-N
XLogP1.09
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 62693064
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
2-(3-methylpentan-2-ylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 115723874
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401
N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
CID 115727790
3-methyl-3-[1-(1-methylpyrazol-4-yl)propylamino]butan-1-ol
CID 115920575
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
CID 115867794
2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115896723
N-ethyl-1-(1-methylpyrazol-4-yl)pent-3-yn-1-amine
CID 65200186

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol (CID 115888089) is 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol is CCC(C)CNC(CO)c1cnn(C)c1.
What is the InChIKey of 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is NRHROZVUZAOHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-9(2)5-12-11(8-15)10-6-13-14(3)7-10/h6-7,9,11-12,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol?
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 211.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115888089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).