1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine

C11H21N3O — CID 103741947

IUPAC1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
SMILESCOC1CC(/N=C(\N)NC2CC2)C1(C)C
InChIInChI=1S/C11H21N3O/c1-11(2)8(6-9(11)15-3)14-10(12)13-7-4-5-7/h7-9H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeyTYKSGJZQGVUKEK-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.87
Rot. Bonds3

About 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine

1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine (PubChem CID 103741947) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
PubChem CID103741947
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine
SMILESCOC1CC(/N=C(\N)NC2CC2)C1(C)C
InChIInChI=1S/C11H21N3O/c1-11(2)8(6-9(11)15-3)14-10(12)13-7-4-5-7/h7-9H,4-6H2,1-3H3,(H3,12,13,14)
InChIKeyTYKSGJZQGVUKEK-UHFFFAOYSA-N
XLogP0.87
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
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'}

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Related Compounds

1-(1-benzylpiperidin-4-yl)-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 119152194
2-(3-methoxy-2,2-dimethylcyclobutyl)-1-(3-methylphenyl)guanidine
CID 119152223
2-(3-methoxy-2,2-dimethylcyclobutyl)-1,1,3,3-tetramethylguanidine
CID 122081780
1-cyclopropyl-2-(2,3-dimethylcyclobutyl)guanidine
CID 130993715
1-cyclopentyl-2-(2-methoxycyclopentyl)guanidine
CID 62362535
ethyl 4-[[N'-(3-ethoxy-2,2-diethylcyclobutyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111824147
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)thiourea
CID 103742081
1-butan-2-yl-2-(3-butoxy-2,2-dimethylcyclobutyl)guanidine;hydroiodide
CID 111757565
1-cyclopropyl-2-(3-methoxy-2-methylpropyl)guanidine
CID 62363573
2-[(1R,3R)-2,2-dimethyl-3-propan-2-yloxycyclobutyl]-1,1-dimethylguanidine
CID 99855461
cis-(1R,3S)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 95970229

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine (CID 103741947) is 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine is COC1CC(/N=C(\N)NC2CC2)C1(C)C.
What is the InChIKey of 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine?
The InChIKey is TYKSGJZQGVUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2)8(6-9(11)15-3)14-10(12)13-7-4-5-7/h7-9H,4-6H2,1-3H3,(H3,12,13,14).
What are the key properties of 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine?
1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine has a molecular weight of 211.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methoxy-2,2-dimethylcyclobutyl)guanidine is sourced from PubChem (CID 103741947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).