2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine

C14H21N5 — CID 122081853

IUPAC2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
SMILESCC(C)C/N=C(\N)NCCc1c[nH]c2ncccc12
InChIInChI=1S/C14H21N5/c1-10(2)8-19-14(15)17-7-5-11-9-18-13-12(11)4-3-6-16-13/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyDFBZGDLSUJZMJR-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.67
Rot. Bonds5

About 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine

2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine (PubChem CID 122081853) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
PubChem CID122081853
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
SMILESCC(C)C/N=C(\N)NCCc1c[nH]c2ncccc12
InChIInChI=1S/C14H21N5/c1-10(2)8-19-14(15)17-7-5-11-9-18-13-12(11)4-3-6-16-13/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyDFBZGDLSUJZMJR-UHFFFAOYSA-N
XLogP1.67
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(oxolan-2-ylmethyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 122081852
1-butan-2-yl-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 122081856
2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine
CID 62363089
2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 166427820
1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 134604131
1-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 166195081
1-[2-(2-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 103646263
CID 89301473
CID 89301473
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
1-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 86812869
2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-ol
CID 66932650

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine (CID 122081853) is 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine is CC(C)C/N=C(\N)NCCc1c[nH]c2ncccc12.
What is the InChIKey of 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
The InChIKey is DFBZGDLSUJZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)8-19-14(15)17-7-5-11-9-18-13-12(11)4-3-6-16-13/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,16,18)(H3,15,17,19).
What are the key properties of 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine has a molecular weight of 259.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine is sourced from PubChem (CID 122081853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).