azane;tert-butyl acetate;guanidine

C7H20N4O2 — CID 174950483

IUPACazane;tert-butyl acetate;guanidine
SMILESCC(=O)OC(C)(C)C.N.[H]N=C(N)N
InChIInChI=1S/C6H12O2.CH5N3.H3N/c1-5(7)8-6(2,3)4;2-1(3)4;/h1-4H3;(H5,2,3,4);1H3
InChIKeyGQBWHQTWGWXQDO-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.35
Rot. Bonds

About azane;tert-butyl acetate;guanidine

azane;tert-butyl acetate;guanidine (PubChem CID 174950483) has the molecular formula C7H20N4O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is azane;tert-butyl acetate;guanidine.

Molecular Properties

Compound Nameazane;tert-butyl acetate;guanidine
PubChem CID174950483
Molecular FormulaC7H20N4O2
Molecular Weight192.26 g/mol
Exact Mass192.16
IUPAC Nameazane;tert-butyl acetate;guanidine
SMILESCC(=O)OC(C)(C)C.N.[H]N=C(N)N
InChIInChI=1S/C6H12O2.CH5N3.H3N/c1-5(7)8-6(2,3)4;2-1(3)4;/h1-4H3;(H5,2,3,4);1H3
InChIKeyGQBWHQTWGWXQDO-UHFFFAOYSA-N
XLogP0.35
TPSA137.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze azane;tert-butyl acetate;guanidine 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

tert-butyl acetate
CID 159704758
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
tert-butyl acetate;cyclopropanamine
CID 174763638
tert-butyl acetate;2,2-difluoropropane;2-methylpropane
CID 158638255
bis(tert-butyl acetate);methanamine;methane;nitromethane
CID 160786443
(3-amino-2,3-dimethylbutan-2-yl) acetate
CID 163657238
tert-butyl N-amino-N-(2-amino-2-oxoethyl)carbamate
CID 46900001
1,1-diaminoethyl acetate
CID 87732493
(1-amino-2-methyl-1-oxobutan-2-yl) acetate
CID 87348306
tert-butyl acetate;oxolane
CID 174954006
tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol
CID 157252983

Frequently Asked Questions

What is the IUPAC name of azane;tert-butyl acetate;guanidine?
The IUPAC name of azane;tert-butyl acetate;guanidine (CID 174950483) is azane;tert-butyl acetate;guanidine.
What is the SMILES notation for azane;tert-butyl acetate;guanidine?
The canonical SMILES for azane;tert-butyl acetate;guanidine is CC(=O)OC(C)(C)C.N.[H]N=C(N)N.
What is the InChIKey of azane;tert-butyl acetate;guanidine?
The InChIKey is GQBWHQTWGWXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.CH5N3.H3N/c1-5(7)8-6(2,3)4;2-1(3)4;/h1-4H3;(H5,2,3,4);1H3.
What are the key properties of azane;tert-butyl acetate;guanidine?
azane;tert-butyl acetate;guanidine has a molecular weight of 192.26 g/mol, XLogP of 0.35, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tert-butyl acetate;guanidine is sourced from PubChem (CID 174950483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).