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

C14H27N3O — CID 106708725

IUPAC2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine
SMILESCC(C)n1cc(OCCCCC(C)(C)CN)cn1
InChIInChI=1S/C14H27N3O/c1-12(2)17-10-13(9-16-17)18-8-6-5-7-14(3,4)11-15/h9-10,12H,5-8,11,15H2,1-4H3
InChIKeyFTAVEKNLPXLQHR-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds8

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

2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine (PubChem CID 106708725) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine
PubChem CID106708725
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine
SMILESCC(C)n1cc(OCCCCC(C)(C)CN)cn1
InChIInChI=1S/C14H27N3O/c1-12(2)17-10-13(9-16-17)18-8-6-5-7-14(3,4)11-15/h9-10,12H,5-8,11,15H2,1-4H3
InChIKeyFTAVEKNLPXLQHR-UHFFFAOYSA-N
XLogP3.00
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
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-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine (CID 106708725) is 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine is CC(C)n1cc(OCCCCC(C)(C)CN)cn1.
What is the InChIKey of 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine?
The InChIKey is FTAVEKNLPXLQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)17-10-13(9-16-17)18-8-6-5-7-14(3,4)11-15/h9-10,12H,5-8,11,15H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine?
2,2-dimethyl-6-(1-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 3.00, 8 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-propan-2-ylpyrazol-4-yl)oxyhexan-1-amine is sourced from PubChem (CID 106708725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).