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

C17H25N3O — CID 106930171

IUPACN-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(COCC2CC2)c2ncccc12
InChIInChI=1S/C17H25N3O/c1-13(2)8-18-9-15-10-20(12-21-11-14-5-6-14)17-16(15)4-3-7-19-17/h3-4,7,10,13-14,18H,5-6,8-9,11-12H2,1-2H3
InChIKeyKZLHHCPVRVWNEK-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds8

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

N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 106930171) 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-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID106930171
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cn(COCC2CC2)c2ncccc12
InChIInChI=1S/C17H25N3O/c1-13(2)8-18-9-15-10-20(12-21-11-14-5-6-14)17-16(15)4-3-7-19-17/h3-4,7,10,13-14,18H,5-6,8-9,11-12H2,1-2H3
InChIKeyKZLHHCPVRVWNEK-UHFFFAOYSA-N
XLogP3.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.17
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-2-amine
CID 106930170
5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66413411
N-[[2-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63972016
N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411029
N-[[1-(oxan-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411417
N-[[3-chloro-2-(cyclopropylmethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 106929415
N-[[1-(2-propan-2-yloxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412220
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66322072
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 66412817

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine (CID 106930171) is N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cn(COCC2CC2)c2ncccc12.
What is the InChIKey of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KZLHHCPVRVWNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)8-18-9-15-10-20(12-21-11-14-5-6-14)17-16(15)4-3-7-19-17/h3-4,7,10,13-14,18H,5-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(cyclopropylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.17, 8 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-1-amine is sourced from PubChem (CID 106930171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).