2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol

C11H21N3O — CID 64810939

IUPAC2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol
SMILESCc1ccnn1CCCCC(C)(N)CO
InChIInChI=1S/C11H21N3O/c1-10-5-7-13-14(10)8-4-3-6-11(2,12)9-15/h5,7,15H,3-4,6,8-9,12H2,1-2H3
InChIKeyFHZDNJFIINGSHD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.07
Rot. Bonds6

About 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol

2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol (PubChem CID 64810939) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol
PubChem CID64810939
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol
SMILESCc1ccnn1CCCCC(C)(N)CO
InChIInChI=1S/C11H21N3O/c1-10-5-7-13-14(10)8-4-3-6-11(2,12)9-15/h5,7,15H,3-4,6,8-9,12H2,1-2H3
InChIKeyFHZDNJFIINGSHD-UHFFFAOYSA-N
XLogP1.07
TPSA64.07 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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol (CID 64810939) is 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol is Cc1ccnn1CCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol?
The InChIKey is FHZDNJFIINGSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10-5-7-13-14(10)8-4-3-6-11(2,12)9-15/h5,7,15H,3-4,6,8-9,12H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol?
2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(5-methylpyrazol-1-yl)hexan-1-ol is sourced from PubChem (CID 64810939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).