6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine

C11H21N3O — CID 81345938

IUPAC6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine
SMILESCc1cc(OCCCCCCN)n(C)n1
InChIInChI=1S/C11H21N3O/c1-10-9-11(14(2)13-10)15-8-6-4-3-5-7-12/h9H,3-8,12H2,1-2H3
InChIKeyQVBFQKHVTRTPQN-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.63
Rot. Bonds7

About 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine

6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine (PubChem CID 81345938) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine
PubChem CID81345938
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine
SMILESCc1cc(OCCCCCCN)n(C)n1
InChIInChI=1S/C11H21N3O/c1-10-9-11(14(2)13-10)15-8-6-4-3-5-7-12/h9H,3-8,12H2,1-2H3
InChIKeyQVBFQKHVTRTPQN-UHFFFAOYSA-N
XLogP1.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
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 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine (CID 81345938) is 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine is Cc1cc(OCCCCCCN)n(C)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine?
The InChIKey is QVBFQKHVTRTPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10-9-11(14(2)13-10)15-8-6-4-3-5-7-12/h9H,3-8,12H2,1-2H3.
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine?
6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)oxyhexan-1-amine is sourced from PubChem (CID 81345938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).