2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine

C14H24N4O — CID 111125546

IUPAC2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1CN/C(=N/C)NC(C)C
InChIInChI=1S/C14H24N4O/c1-5-9-19-13-12(7-6-8-16-13)10-17-14(15-4)18-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H2,15,17,18)
InChIKeyOERPHMHKOPAIRH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.94
Rot. Bonds6

About 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine

2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine (PubChem CID 111125546) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
PubChem CID111125546
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
SMILESCCCOc1ncccc1CN/C(=N/C)NC(C)C
InChIInChI=1S/C14H24N4O/c1-5-9-19-13-12(7-6-8-16-13)10-17-14(15-4)18-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H2,15,17,18)
InChIKeyOERPHMHKOPAIRH-UHFFFAOYSA-N
XLogP1.94
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111123861
1-benzyl-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110952639
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968263
1-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000366
1-[(2-butoxy-3-pyridinyl)methyl]-3-butyl-2-methylguanidine
CID 111150836
1-ethyl-3-propan-2-yl-2-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111124552
2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111900879
2-methyl-1-[(2-propoxy-3-pyridinyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472870
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111957670
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111710896
2-methyl-1-(2-methyl-3-thiophen-2-ylpropyl)-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111673971
2-methyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111586764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine (CID 111125546) is 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine is CCCOc1ncccc1CN/C(=N/C)NC(C)C.
What is the InChIKey of 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is OERPHMHKOPAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-9-19-13-12(7-6-8-16-13)10-17-14(15-4)18-11(2)3/h6-8,11H,5,9-10H2,1-4H3,(H2,15,17,18).
What are the key properties of 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine?
2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine has a molecular weight of 264.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yl-3-[(2-propoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111125546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).