1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine

C14H27N3O2 — CID 122097515

IUPAC1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
SMILESCOCC(C)N/C(N)=N/CC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27N3O2/c1-11(10-18-2)17-13(15)16-9-12-4-7-19-14(8-12)5-3-6-14/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyBUJNRJMBKLCFEG-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.27
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine

1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine (PubChem CID 122097515) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
PubChem CID122097515
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
SMILESCOCC(C)N/C(N)=N/CC1CCOC2(CCC2)C1
InChIInChI=1S/C14H27N3O2/c1-11(10-18-2)17-13(15)16-9-12-4-7-19-14(8-12)5-3-6-14/h11-12H,3-10H2,1-2H3,(H3,15,16,17)
InChIKeyBUJNRJMBKLCFEG-UHFFFAOYSA-N
XLogP1.27
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.27
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-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
CID 122097518
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800036
2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 119119474
2-[(2-tert-butyloxan-3-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111816129
1-(1-methoxypropan-2-yl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111818576
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111077192
1-(1-methoxypropan-2-yl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111041892
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
1-(1-methoxypropan-2-yl)-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081836

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine (CID 122097515) is 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine is COCC(C)N/C(N)=N/CC1CCOC2(CCC2)C1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
The InChIKey is BUJNRJMBKLCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(10-18-2)17-13(15)16-9-12-4-7-19-14(8-12)5-3-6-14/h11-12H,3-10H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine?
1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine has a molecular weight of 269.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine is sourced from PubChem (CID 122097515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).