2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine

C17H30N4O — CID 111763503

IUPAC2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccnc(OC(C)CC(C)C)c1
InChIInChI=1S/C17H30N4O/c1-6-8-20-17(18-5)21-12-15-7-9-19-16(11-15)22-14(4)10-13(2)3/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H2,18,20,21)
InChIKeyCLYNTBMGOBCINI-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.97
Rot. Bonds8

About 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine

2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine (PubChem CID 111763503) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine.

Molecular Properties

Compound Name2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine
PubChem CID111763503
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine
SMILESCCCN/C(=N\C)NCc1ccnc(OC(C)CC(C)C)c1
InChIInChI=1S/C17H30N4O/c1-6-8-20-17(18-5)21-12-15-7-9-19-16(11-15)22-14(4)10-13(2)3/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H2,18,20,21)
InChIKeyCLYNTBMGOBCINI-UHFFFAOYSA-N
XLogP2.97
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.97
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-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111768824
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228262
2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111760992
1-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111401693
1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111150670
1-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111759192
1-[(2-ethoxy-4-pyridinyl)methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125868
2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111129253
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110977016
2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111129252
N-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86949292
1-benzyl-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 110952173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine?
The IUPAC name of 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine (CID 111763503) is 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine.
What is the SMILES notation for 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine?
The canonical SMILES for 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine is CCCN/C(=N\C)NCc1ccnc(OC(C)CC(C)C)c1.
What is the InChIKey of 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine?
The InChIKey is CLYNTBMGOBCINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-6-8-20-17(18-5)21-12-15-7-9-19-16(11-15)22-14(4)10-13(2)3/h7,9,11,13-14H,6,8,10,12H2,1-5H3,(H2,18,20,21).
What are the key properties of 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine?
2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine has a molecular weight of 306.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methyl]-3-propylguanidine is sourced from PubChem (CID 111763503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).