1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine

C11H18N4 — CID 62363919

IUPAC1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)N/C(N)=N/CCc1ccccn1
InChIInChI=1S/C11H18N4/c1-9(2)15-11(12)14-8-6-10-5-3-4-7-13-10/h3-5,7,9H,6,8H2,1-2H3,(H3,12,14,15)
InChIKeyADGYDINZMKHMAF-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.94
Rot. Bonds4

About 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine

1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 62363919) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
PubChem CID62363919
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine
SMILESCC(C)N/C(N)=N/CCc1ccccn1
InChIInChI=1S/C11H18N4/c1-9(2)15-11(12)14-8-6-10-5-3-4-7-13-10/h3-5,7,9H,6,8H2,1-2H3,(H3,12,14,15)
InChIKeyADGYDINZMKHMAF-UHFFFAOYSA-N
XLogP0.94
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.94
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-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111095959
1-(4-ethylphenyl)-2-(2-pyridin-2-ylethyl)guanidine
CID 111024696
1-prop-2-enyl-2-(2-pyridin-2-ylethyl)guanidine
CID 137156933
1-propan-2-yl-2-[2-(1,3-thiazol-4-yl)ethyl]guanidine
CID 63825556
2-pyridin-2-ylethanamine;2-(2-pyridin-2-ylethyl)guanidine
CID 161239172
1-[2-(4-propan-2-yloxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111049786
1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110912189
2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
2-(2-hydroxypropyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111025296
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine (CID 62363919) is 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine is CC(C)N/C(N)=N/CCc1ccccn1.
What is the InChIKey of 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine?
The InChIKey is ADGYDINZMKHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-9(2)15-11(12)14-8-6-10-5-3-4-7-13-10/h3-5,7,9H,6,8H2,1-2H3,(H3,12,14,15).
What are the key properties of 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine?
1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 62363919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).