N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine

C13H19N3 — CID 66412207

IUPACN-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
SMILESCCn1cc(CNC(C)C)c2cccnc21
InChIInChI=1S/C13H19N3/c1-4-16-9-11(8-15-10(2)3)12-6-5-7-14-13(12)16/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyJTCCMXQKZMZECA-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.55
Rot. Bonds4

About N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine

N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine (PubChem CID 66412207) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
PubChem CID66412207
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC NameN-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
SMILESCCn1cc(CNC(C)C)c2cccnc21
InChIInChI=1S/C13H19N3/c1-4-16-9-11(8-15-10(2)3)12-6-5-7-14-13(12)16/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyJTCCMXQKZMZECA-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3,3,3-trifluoropropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66410846
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66411630
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-2-amine
CID 66412020
N-[[1-(3-methylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411029
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
1-[(2R)-butan-2-yl]-3-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 95095604
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine (CID 66412207) is N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine is CCn1cc(CNC(C)C)c2cccnc21.
What is the InChIKey of N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
The InChIKey is JTCCMXQKZMZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-4-16-9-11(8-15-10(2)3)12-6-5-7-14-13(12)16/h5-7,9-10,15H,4,8H2,1-3H3.
What are the key properties of N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine?
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine has a molecular weight of 217.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 66412207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).