1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

C17H27N3O — CID 66410681

IUPAC1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCC(C)CCOCCn1cc(CC(C)N)c2cccnc21
InChIInChI=1S/C17H27N3O/c1-13(2)6-9-21-10-8-20-12-15(11-14(3)18)16-5-4-7-19-17(16)20/h4-5,7,12-14H,6,8-11,18H2,1-3H3
InChIKeyIDDCRVJSTSZTEN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds8

About 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine

1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (PubChem CID 66410681) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
PubChem CID66410681
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
SMILESCC(C)CCOCCn1cc(CC(C)N)c2cccnc21
InChIInChI=1S/C17H27N3O/c1-13(2)6-9-21-10-8-20-12-15(11-14(3)18)16-5-4-7-19-17(16)20/h4-5,7,12-14H,6,8-11,18H2,1-3H3
InChIKeyIDDCRVJSTSZTEN-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
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 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine (CID 66410681) is 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is CC(C)CCOCCn1cc(CC(C)N)c2cccnc21.
What is the InChIKey of 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
The InChIKey is IDDCRVJSTSZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)6-9-21-10-8-20-12-15(11-14(3)18)16-5-4-7-19-17(16)20/h4-5,7,12-14H,6,8-11,18H2,1-3H3.
What are the key properties of 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine?
1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine is sourced from PubChem (CID 66410681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).