2-tert-butyl-1-propan-2-yloxyguanidine

C8H19N3O — CID 130697541

IUPAC2-tert-butyl-1-propan-2-yloxyguanidine
SMILESCC(C)ON/C(N)=N/C(C)(C)C
InChIInChI=1S/C8H19N3O/c1-6(2)12-11-7(9)10-8(3,4)5/h6H,1-5H3,(H3,9,10,11)
InChIKeyHMNWJMMFFHJJLK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.03
Rot. Bonds2

About 2-tert-butyl-1-propan-2-yloxyguanidine

2-tert-butyl-1-propan-2-yloxyguanidine (PubChem CID 130697541) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-tert-butyl-1-propan-2-yloxyguanidine.

Molecular Properties

Compound Name2-tert-butyl-1-propan-2-yloxyguanidine
PubChem CID130697541
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name2-tert-butyl-1-propan-2-yloxyguanidine
SMILESCC(C)ON/C(N)=N/C(C)(C)C
InChIInChI=1S/C8H19N3O/c1-6(2)12-11-7(9)10-8(3,4)5/h6H,1-5H3,(H3,9,10,11)
InChIKeyHMNWJMMFFHJJLK-UHFFFAOYSA-N
XLogP1.03
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.03
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'}

Analyze 2-tert-butyl-1-propan-2-yloxyguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-[amino-(propan-2-yloxyamino)methylidene]thiourea
CID 139712304
1-amino-2-tert-butylguanidine
CID 13451339
2-bromo-2-methyl-N-propan-2-yloxypropanamide
CID 131182028
methyl N'-tert-butylcarbamimidate
CID 13222079
N-(N'-tert-butylcarbamimidoyl)formamide
CID 58320078
2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-(2,4,4,5-tetramethylhexan-2-yl)-1-[N'-(2,4,4,5-tetramethylhexan-2-yl)carbamimidoyl]guanidine
CID 155071905
2-methyl-N-propan-2-yloxypropan-2-amine
CID 154073687
N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
CID 83148345
2-tert-butyl-1-(4-methylphenyl)guanidine
CID 62379997
tert-butyl N-(N'-butan-2-ylcarbamimidoyl)carbamate
CID 166915171

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-propan-2-yloxyguanidine?
The IUPAC name of 2-tert-butyl-1-propan-2-yloxyguanidine (CID 130697541) is 2-tert-butyl-1-propan-2-yloxyguanidine.
What is the SMILES notation for 2-tert-butyl-1-propan-2-yloxyguanidine?
The canonical SMILES for 2-tert-butyl-1-propan-2-yloxyguanidine is CC(C)ON/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-propan-2-yloxyguanidine?
The InChIKey is HMNWJMMFFHJJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-6(2)12-11-7(9)10-8(3,4)5/h6H,1-5H3,(H3,9,10,11).
What are the key properties of 2-tert-butyl-1-propan-2-yloxyguanidine?
2-tert-butyl-1-propan-2-yloxyguanidine has a molecular weight of 173.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-propan-2-yloxyguanidine is sourced from PubChem (CID 130697541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).