1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine

C11H14N2O — CID 79799433

IUPAC1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
SMILESC#CCOc1ccc(CC(C)N)nc1
InChIInChI=1S/C11H14N2O/c1-3-6-14-11-5-4-10(13-8-11)7-9(2)12/h1,4-5,8-9H,6-7,12H2,2H3
InChIKeyURRBRCMFARNTBL-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.98
Rot. Bonds4

About 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine

1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine (PubChem CID 79799433) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
PubChem CID79799433
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine
SMILESC#CCOc1ccc(CC(C)N)nc1
InChIInChI=1S/C11H14N2O/c1-3-6-14-11-5-4-10(13-8-11)7-9(2)12/h1,4-5,8-9H,6-7,12H2,2H3
InChIKeyURRBRCMFARNTBL-UHFFFAOYSA-N
XLogP0.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5-prop-2-ynoxy-2-pyridinyl)methanamine
CID 79776533
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-[5-(2-fluoroethoxy)-2-pyridinyl]propan-2-amine
CID 80694475
1-(5-prop-2-enoxy-2-pyridinyl)propan-2-amine
CID 79795581
N-methyl-1-(5-prop-2-ynoxy-2-pyridinyl)methanamine
CID 79776395
1-(5-pentoxy-2-pyridinyl)propan-2-amine
CID 79799904
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
1-[5-(3-chloroprop-2-enoxy)-2-pyridinyl]propan-2-amine
CID 79799523
1-(5-hexoxy-2-pyridinyl)propan-2-amine
CID 79800440
1-(5-decoxy-2-pyridinyl)propan-2-amine
CID 79790628
1-[5-[2-(4-bromophenoxy)ethoxy]-2-pyridinyl]propan-2-amine
CID 79790646
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-methylacetamide
CID 79799713

Frequently Asked Questions

What is the IUPAC name of 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine?
The IUPAC name of 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine (CID 79799433) is 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine is C#CCOc1ccc(CC(C)N)nc1.
What is the InChIKey of 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine?
The InChIKey is URRBRCMFARNTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-6-14-11-5-4-10(13-8-11)7-9(2)12/h1,4-5,8-9H,6-7,12H2,2H3.
What are the key properties of 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine?
1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine has a molecular weight of 190.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-prop-2-ynoxy-2-pyridinyl)propan-2-amine is sourced from PubChem (CID 79799433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).