2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine

C12H20N4 — CID 62363089

IUPAC2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine
SMILESCC(C)C/N=C(\N)NCCc1cccnc1
InChIInChI=1S/C12H20N4/c1-10(2)8-16-12(13)15-7-5-11-4-3-6-14-9-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,13,15,16)
InChIKeyOBOSJICHPHFREL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.18
Rot. Bonds5

About 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine

2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine (PubChem CID 62363089) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine
PubChem CID62363089
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine
SMILESCC(C)C/N=C(\N)NCCc1cccnc1
InChIInChI=1S/C12H20N4/c1-10(2)8-16-12(13)15-7-5-11-4-3-6-14-9-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,13,15,16)
InChIKeyOBOSJICHPHFREL-UHFFFAOYSA-N
XLogP1.18
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
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

1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
1-(2-methylpropyl)-2-(pyridin-3-ylmethyl)guanidine
CID 62361961
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110912189
2-methyl-1-(5-methylhexan-2-yl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111204101
2-(2-methylpropyl)-1-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111039957
1-[2-(3,5-difluorophenyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 110921193
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
1-octyl-2-(pyridin-3-ylmethyl)guanidine
CID 111023328
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2,2-dimethyl-3-(2-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835010
1-ethyl-2-[2-(4-methylphenyl)propyl]-3-(2-pyridin-3-ylethyl)guanidine
CID 111622618

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine (CID 62363089) is 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine is CC(C)C/N=C(\N)NCCc1cccnc1.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is OBOSJICHPHFREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)8-16-12(13)15-7-5-11-4-3-6-14-9-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H3,13,15,16).
What are the key properties of 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine?
2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 220.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 62363089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).