2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine

C8H16N4O — CID 130877494

IUPAC2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine
SMILESCC(C)OC1CC(=NN=C(N)N)C1
InChIInChI=1S/C8H16N4O/c1-5(2)13-7-3-6(4-7)11-12-8(9)10/h5,7H,3-4H2,1-2H3,(H4,9,10,12)/b11-6-
InChIKeyYTNQAYYINREDGQ-WDZFZDKYSA-N
MW184.24 g/mol
LogP0.20
Rot. Bonds3

About 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine

2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine (PubChem CID 130877494) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine
PubChem CID130877494
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine
SMILESCC(C)OC1CC(=NN=C(N)N)C1
InChIInChI=1S/C8H16N4O/c1-5(2)13-7-3-6(4-7)11-12-8(9)10/h5,7H,3-4H2,1-2H3,(H4,9,10,12)/b11-6-
InChIKeyYTNQAYYINREDGQ-WDZFZDKYSA-N
XLogP0.20
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.20
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-Ethoxycyclobutylidene)amino]guanidine
CID 106824493
2-[(3-Methoxycyclobutylidene)amino]guanidine
CID 106824494

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine?
The IUPAC name of 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine (CID 130877494) is 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine.
What is the SMILES notation for 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine?
The canonical SMILES for 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine is CC(C)OC1CC(=NN=C(N)N)C1.
What is the InChIKey of 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine?
The InChIKey is YTNQAYYINREDGQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-5(2)13-7-3-6(4-7)11-12-8(9)10/h5,7H,3-4H2,1-2H3,(H4,9,10,12)/b11-6-.
What are the key properties of 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine?
2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine has a molecular weight of 184.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yloxycyclobutylidene)amino]guanidine is sourced from PubChem (CID 130877494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).