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

C16H23N3O — CID 66412220

IUPACN-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESCC(C)OCCn1cc(CNC2CC2)c2cccnc21
InChIInChI=1S/C16H23N3O/c1-12(2)20-9-8-19-11-13(10-18-14-5-6-14)15-4-3-7-17-16(15)19/h3-4,7,11-12,14,18H,5-6,8-10H2,1-2H3
InChIKeyOXNVFBBIMCPGDY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds7

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

N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (PubChem CID 66412220) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
PubChem CID66412220
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
SMILESCC(C)OCCn1cc(CNC2CC2)c2cccnc21
InChIInChI=1S/C16H23N3O/c1-12(2)20-9-8-19-11-13(10-18-14-5-6-14)15-4-3-7-17-16(15)19/h3-4,7,11-12,14,18H,5-6,8-10H2,1-2H3
InChIKeyOXNVFBBIMCPGDY-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[1-(2-imidazol-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412807
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413007
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412218
N-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412809
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66413404
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-propan-2-ylacetamide
CID 53144495
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine (CID 66412220) is N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is CC(C)OCCn1cc(CNC2CC2)c2cccnc21.
What is the InChIKey of N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
The InChIKey is OXNVFBBIMCPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)20-9-8-19-11-13(10-18-14-5-6-14)15-4-3-7-17-16(15)19/h3-4,7,11-12,14,18H,5-6,8-10H2,1-2H3.
What are the key properties of N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine?
N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66412220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).