1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine

C11H18N4 — CID 62362636

IUPAC1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
SMILESCC(C)N/C(N)=N/C(C)c1ccncc1
InChIInChI=1S/C11H18N4/c1-8(2)14-11(12)15-9(3)10-4-6-13-7-5-10/h4-9H,1-3H3,(H3,12,14,15)
InChIKeyNEXRNFJPXHTSPP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.46
Rot. Bonds3

About 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine

1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine (PubChem CID 62362636) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
PubChem CID62362636
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
SMILESCC(C)N/C(N)=N/C(C)c1ccncc1
InChIInChI=1S/C11H18N4/c1-8(2)14-11(12)15-9(3)10-4-6-13-7-5-10/h4-9H,1-3H3,(H3,12,14,15)
InChIKeyNEXRNFJPXHTSPP-UHFFFAOYSA-N
XLogP1.46
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.46
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-hydroxy-2-(1-pyridin-4-ylethyl)guanidine
CID 62483522
1-propan-2-yl-2-(1-pyridin-3-ylethyl)guanidine
CID 62362194
N'-(1-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 55160157
2-[1-(2-fluorophenyl)ethyl]-1-propan-2-ylguanidine
CID 62364214
2-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 114700720
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
CID 77029615
1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
CID 64869068
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
1-propan-2-yl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 110912189

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine?
The IUPAC name of 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine (CID 62362636) is 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine.
What is the SMILES notation for 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine?
The canonical SMILES for 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine is CC(C)N/C(N)=N/C(C)c1ccncc1.
What is the InChIKey of 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine?
The InChIKey is NEXRNFJPXHTSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8(2)14-11(12)15-9(3)10-4-6-13-7-5-10/h4-9H,1-3H3,(H3,12,14,15).
What are the key properties of 1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine?
1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 1.46, 3 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-(1-pyridin-4-ylethyl)guanidine is sourced from PubChem (CID 62362636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).