2-benzyl-1-propan-2-yloxyguanidine

C11H17N3O — CID 130964833

IUPAC2-benzyl-1-propan-2-yloxyguanidine
SMILESCC(C)ON/C(N)=N/Cc1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(2)15-14-11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13,14)
InChIKeyKGWZIPVZHNDCTJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.43
Rot. Bonds4

About 2-benzyl-1-propan-2-yloxyguanidine

2-benzyl-1-propan-2-yloxyguanidine (PubChem CID 130964833) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-benzyl-1-propan-2-yloxyguanidine.

Molecular Properties

Compound Name2-benzyl-1-propan-2-yloxyguanidine
PubChem CID130964833
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-benzyl-1-propan-2-yloxyguanidine
SMILESCC(C)ON/C(N)=N/Cc1ccccc1
InChIInChI=1S/C11H17N3O/c1-9(2)15-14-11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13,14)
InChIKeyKGWZIPVZHNDCTJ-UHFFFAOYSA-N
XLogP1.43
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.43
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-propoxyguanidine
CID 130609795
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
2-benzyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 130557169
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
1-phenyl-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110893205
2-benzyl-1-phenylguanidine
CID 12910062
2-benzyl-1-(4-hydroxypentyl)guanidine
CID 130174661
2-benzyl-1-(1-cyclopropylpropyl)guanidine
CID 130671344
2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
CID 130158185
2-benzyl-1-[(1R)-1-thiophen-2-ylethyl]guanidine
CID 130567874
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-propan-2-yloxyguanidine?
The IUPAC name of 2-benzyl-1-propan-2-yloxyguanidine (CID 130964833) is 2-benzyl-1-propan-2-yloxyguanidine.
What is the SMILES notation for 2-benzyl-1-propan-2-yloxyguanidine?
The canonical SMILES for 2-benzyl-1-propan-2-yloxyguanidine is CC(C)ON/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-propan-2-yloxyguanidine?
The InChIKey is KGWZIPVZHNDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(2)15-14-11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H3,12,13,14).
What are the key properties of 2-benzyl-1-propan-2-yloxyguanidine?
2-benzyl-1-propan-2-yloxyguanidine has a molecular weight of 207.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-propan-2-yloxyguanidine is sourced from PubChem (CID 130964833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).