1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine

C14H29N3O2 — CID 111800036

IUPAC1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/CC1CCCOC1C(C)C
InChIInChI=1S/C14H29N3O2/c1-10(2)13-12(6-5-7-19-13)8-16-14(15)17-11(3)9-18-4/h10-13H,5-9H2,1-4H3,(H3,15,16,17)
InChIKeyVXRIBYMMSRKBIE-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.38
Rot. Bonds6

About 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine

1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine (PubChem CID 111800036) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
PubChem CID111800036
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
SMILESCOCC(C)N/C(N)=N/CC1CCCOC1C(C)C
InChIInChI=1S/C14H29N3O2/c1-10(2)13-12(6-5-7-19-13)8-16-14(15)17-11(3)9-18-4/h10-13H,5-9H2,1-4H3,(H3,15,16,17)
InChIKeyVXRIBYMMSRKBIE-UHFFFAOYSA-N
XLogP1.38
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.38
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

2-[(2-tert-butyloxan-3-yl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111816129
1-(1-methoxypropan-2-yl)-2-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111041892
2-(cyclooctylmethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111075413
2-(1,4-dioxan-2-ylmethyl)-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 119119474
1-phenyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800092
1-(1-methoxypropan-2-yl)-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
CID 122097515
1-(4-methoxyphenyl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800074
2-[(4-ethylcyclohexyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111076597
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine
CID 119146529
1-cyclopentyl-2-[(2-propan-2-yloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119146528
1,1,3,3-tetramethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine
CID 111800070
1,3-diethyl-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine;hydroiodide
CID 86813294

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine (CID 111800036) is 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine is COCC(C)N/C(N)=N/CC1CCCOC1C(C)C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine?
The InChIKey is VXRIBYMMSRKBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-10(2)13-12(6-5-7-19-13)8-16-14(15)17-11(3)9-18-4/h10-13H,5-9H2,1-4H3,(H3,15,16,17).
What are the key properties of 1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine?
1-(1-methoxypropan-2-yl)-2-[(2-propan-2-yloxan-3-yl)methyl]guanidine has a molecular weight of 271.40 g/mol, XLogP of 1.38, 6 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-[(2-propan-2-yloxan-3-yl)methyl]guanidine is sourced from PubChem (CID 111800036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).