N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine

C17H25N3O — CID 106930170

IUPACN-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(COCC2CC2)c2ncccc12
InChIInChI=1S/C17H25N3O/c1-17(2,3)19-9-14-10-20(12-21-11-13-6-7-13)16-15(14)5-4-8-18-16/h4-5,8,10,13,19H,6-7,9,11-12H2,1-3H3
InChIKeyKTPIYXFLGQXRBX-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.31
Rot. Bonds6

About N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 106930170) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID106930170
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(COCC2CC2)c2ncccc12
InChIInChI=1S/C17H25N3O/c1-17(2,3)19-9-14-10-20(12-21-11-13-6-7-13)16-15(14)5-4-8-18-16/h4-5,8,10,13,19H,6-7,9,11-12H2,1-3H3
InChIKeyKTPIYXFLGQXRBX-UHFFFAOYSA-N
XLogP3.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine
CID 106930171
2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412030
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
N-[[1-(cyclopentylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412218
N-[[1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411417
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66415886
N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412220
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[2-(cyclopropylmethoxy)quinolin-4-yl]methyl]-2-methylpropan-2-amine
CID 62291505
1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 106706266
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine (CID 106930170) is N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(COCC2CC2)c2ncccc12.
What is the InChIKey of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KTPIYXFLGQXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)19-9-14-10-20(12-21-11-13-6-7-13)16-15(14)5-4-8-18-16/h4-5,8,10,13,19H,6-7,9,11-12H2,1-3H3.
What are the key properties of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106930170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).