2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine

C7H15N3O — CID 114630033

IUPAC2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine
SMILESCC1(C)C(O)CC1N=C(N)N
InChIInChI=1S/C7H15N3O/c1-7(2)4(3-5(7)11)10-6(8)9/h4-5,11H,3H2,1-2H3,(H4,8,9,10)
InChIKeyVYPNJJSVKDBCEG-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.58
Rot. Bonds1

About 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine

2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine (PubChem CID 114630033) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine.

Molecular Properties

Compound Name2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine
PubChem CID114630033
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine
SMILESCC1(C)C(O)CC1N=C(N)N
InChIInChI=1S/C7H15N3O/c1-7(2)4(3-5(7)11)10-6(8)9/h4-5,11H,3H2,1-2H3,(H4,8,9,10)
InChIKeyVYPNJJSVKDBCEG-UHFFFAOYSA-N
XLogP-0.58
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
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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Related Compounds

cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]guanidine
CID 130854529
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112633408
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
CID 164655478
2-(3-ethoxy-2,2-diethylcyclobutyl)guanidine
CID 111824177
2,2,4-trimethylcyclopentane-1,3-diol
CID 142602394
trans-(3S,5S)-4,4,5-trimethylcyclohexane-1,3-diol
CID 118049120
2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
CID 99855461
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanamide
CID 114629418
2-(3,3-dimethylcyclopentyl)guanidine
CID 114541129
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
CID 103741947
N'-hydroxy-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]butanimidamide
CID 104940499

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine?
The IUPAC name of 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine (CID 114630033) is 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine.
What is the SMILES notation for 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine?
The canonical SMILES for 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine is CC1(C)C(O)CC1N=C(N)N.
What is the InChIKey of 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine?
The InChIKey is VYPNJJSVKDBCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(2)4(3-5(7)11)10-6(8)9/h4-5,11H,3H2,1-2H3,(H4,8,9,10).
What are the key properties of 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine?
2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine has a molecular weight of 157.22 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine is sourced from PubChem (CID 114630033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).