N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine

C14H21N3O — CID 59593291

IUPACN,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine
SMILESCCN(CC)CCCOc1cnc2[nH]ccc2c1
InChIInChI=1S/C14H21N3O/c1-3-17(4-2)8-5-9-18-13-10-12-6-7-15-14(12)16-11-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyAGKYSBXDIRFWKZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds7

About N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine

N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine (PubChem CID 59593291) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine
PubChem CID59593291
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine
SMILESCCN(CC)CCCOc1cnc2[nH]ccc2c1
InChIInChI=1S/C14H21N3O/c1-3-17(4-2)8-5-9-18-13-10-12-6-7-15-14(12)16-11-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16)
InChIKeyAGKYSBXDIRFWKZ-UHFFFAOYSA-N
XLogP2.67
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
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 N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine?
The IUPAC name of N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine (CID 59593291) is N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine?
The canonical SMILES for N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine is CCN(CC)CCCOc1cnc2[nH]ccc2c1.
What is the InChIKey of N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine?
The InChIKey is AGKYSBXDIRFWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-17(4-2)8-5-9-18-13-10-12-6-7-15-14(12)16-11-13/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,15,16).
What are the key properties of N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine?
N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)propan-1-amine is sourced from PubChem (CID 59593291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).