2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine

C9H19N3O — CID 115629390

IUPAC2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine
SMILESCOCC(C)(C)N/C(N)=N/C1CC1
InChIInChI=1S/C9H19N3O/c1-9(2,6-13-3)12-8(10)11-7-4-5-7/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyROKISTXFIGOFDL-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.48
Rot. Bonds4

About 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine

2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine (PubChem CID 115629390) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine
PubChem CID115629390
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine
SMILESCOCC(C)(C)N/C(N)=N/C1CC1
InChIInChI=1S/C9H19N3O/c1-9(2,6-13-3)12-8(10)11-7-4-5-7/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyROKISTXFIGOFDL-UHFFFAOYSA-N
XLogP0.48
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine?
The IUPAC name of 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine (CID 115629390) is 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine?
The canonical SMILES for 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine is COCC(C)(C)N/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine?
The InChIKey is ROKISTXFIGOFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,6-13-3)12-8(10)11-7-4-5-7/h7H,4-6H2,1-3H3,(H3,10,11,12).
What are the key properties of 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine?
2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(1-methoxy-2-methylpropan-2-yl)guanidine is sourced from PubChem (CID 115629390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).