3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C11H21N3O — CID 43662464

IUPAC3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCC(C)COCCCNCc1ccn[nH]1
InChIInChI=1S/C11H21N3O/c1-10(2)9-15-7-3-5-12-8-11-4-6-13-14-11/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,13,14)
InChIKeyYEJAALMROGQXDA-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.56
Rot. Bonds8

About 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662464) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662464
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCC(C)COCCCNCc1ccn[nH]1
InChIInChI=1S/C11H21N3O/c1-10(2)9-15-7-3-5-12-8-11-4-6-13-14-11/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,13,14)
InChIKeyYEJAALMROGQXDA-UHFFFAOYSA-N
XLogP1.56
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662464) is 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is CC(C)COCCCNCc1ccn[nH]1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is YEJAALMROGQXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)9-15-7-3-5-12-8-11-4-6-13-14-11/h4,6,10,12H,3,5,7-9H2,1-2H3,(H,13,14).
What are the key properties of 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).