1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine

C10H21N3O — CID 82728055

IUPAC1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine
SMILESCC1OCCC1/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H21N3O/c1-7-8(5-6-14-7)12-9(11)13-10(2,3)4/h7-8H,5-6H2,1-4H3,(H3,11,12,13)
InChIKeySABXTLZXQKVQQU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds1

About 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine

1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine (PubChem CID 82728055) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine
PubChem CID82728055
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine
SMILESCC1OCCC1/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H21N3O/c1-7-8(5-6-14-7)12-9(11)13-10(2,3)4/h7-8H,5-6H2,1-4H3,(H3,11,12,13)
InChIKeySABXTLZXQKVQQU-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
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'}

Analyze 1-tert-butyl-2-(2-methyloxolan-3-yl)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

1-tert-butyl-2-(2-methoxycyclopentyl)guanidine
CID 62364409
1-tert-butyl-2-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]guanidine
CID 120606076
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-2-methyloxolane-3-carboxamide
CID 79762996
1-tert-butyl-2-(3-ethylcyclohexyl)guanidine
CID 64748197
N-tert-butyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337032
1-tert-butyl-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018771
1-tert-butyl-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111815381
1-tert-butyl-2-[(3-methoxyoxan-4-yl)methyl]guanidine
CID 122097402
1-cyclopropyl-2-(3-methyloxan-4-yl)guanidine
CID 130491764
N-tert-butyl-2,3-dimethylmorpholine-4-carboxamide
CID 110748549
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-tert-butylguanidine;hydroiodide
CID 119120722
1-tert-butyl-2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]guanidine
CID 62361793

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine (CID 82728055) is 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine is CC1OCCC1/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine?
The InChIKey is SABXTLZXQKVQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7-8(5-6-14-7)12-9(11)13-10(2,3)4/h7-8H,5-6H2,1-4H3,(H3,11,12,13).
What are the key properties of 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine?
1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-methyloxolan-3-yl)guanidine is sourced from PubChem (CID 82728055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).