2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine

C12H23N3O — CID 106708724

IUPAC2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine
SMILESCn1cc(OCCCCC(C)(C)CN)cn1
InChIInChI=1S/C12H23N3O/c1-12(2,10-13)6-4-5-7-16-11-8-14-15(3)9-11/h8-9H,4-7,10,13H2,1-3H3
InChIKeyQAPCFNUWMYGALJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.95
Rot. Bonds7

About 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine

2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine (PubChem CID 106708724) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine
PubChem CID106708724
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine
SMILESCn1cc(OCCCCC(C)(C)CN)cn1
InChIInChI=1S/C12H23N3O/c1-12(2,10-13)6-4-5-7-16-11-8-14-15(3)9-11/h8-9H,4-7,10,13H2,1-3H3
InChIKeyQAPCFNUWMYGALJ-UHFFFAOYSA-N
XLogP1.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.95
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 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine (CID 106708724) is 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine is Cn1cc(OCCCCC(C)(C)CN)cn1.
What is the InChIKey of 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine?
The InChIKey is QAPCFNUWMYGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(2,10-13)6-4-5-7-16-11-8-14-15(3)9-11/h8-9H,4-7,10,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine?
2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1-methylpyrazol-4-yl)oxyhexan-1-amine is sourced from PubChem (CID 106708724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).