N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine

C14H27N3O — CID 81346395

IUPACN-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine
SMILESCc1cc(OCCCCCNC(C)(C)C)n(C)n1
InChIInChI=1S/C14H27N3O/c1-12-11-13(17(5)16-12)18-10-8-6-7-9-15-14(2,3)4/h11,15H,6-10H2,1-5H3
InChIKeyUBZLTSROAPFQRI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.67
Rot. Bonds7

About N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine

N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine (PubChem CID 81346395) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine
PubChem CID81346395
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine
SMILESCc1cc(OCCCCCNC(C)(C)C)n(C)n1
InChIInChI=1S/C14H27N3O/c1-12-11-13(17(5)16-12)18-10-8-6-7-9-15-14(2,3)4/h11,15H,6-10H2,1-5H3
InChIKeyUBZLTSROAPFQRI-UHFFFAOYSA-N
XLogP2.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.67
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 N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine?
The IUPAC name of N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine (CID 81346395) is N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine?
The canonical SMILES for N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine is Cc1cc(OCCCCCNC(C)(C)C)n(C)n1.
What is the InChIKey of N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine?
The InChIKey is UBZLTSROAPFQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-11-13(17(5)16-12)18-10-8-6-7-9-15-14(2,3)4/h11,15H,6-10H2,1-5H3.
What are the key properties of N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine?
N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(2,5-dimethylpyrazol-3-yl)oxypentan-1-amine is sourced from PubChem (CID 81346395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).