N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

C17H25N3 — CID 82928061

IUPACN-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESCCC(CC)Cn1cc(CNC2CC2)c2cccnc21
InChIInChI=1S/C17H25N3/c1-3-13(4-2)11-20-12-14(10-19-15-7-8-15)16-6-5-9-18-17(16)20/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyWMRSFXOXXYVIDP-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.72
Rot. Bonds7

About N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine

N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 82928061) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID82928061
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESCCC(CC)Cn1cc(CNC2CC2)c2cccnc21
InChIInChI=1S/C17H25N3/c1-3-13(4-2)11-20-12-14(10-19-15-7-8-15)16-6-5-9-18-17(16)20/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3
InChIKeyWMRSFXOXXYVIDP-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (CID 82928061) is N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is CCC(CC)Cn1cc(CNC2CC2)c2cccnc21.
What is the InChIKey of N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is WMRSFXOXXYVIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-13(4-2)11-20-12-14(10-19-15-7-8-15)16-6-5-9-18-17(16)20/h5-6,9,12-13,15,19H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 271.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82928061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).