2-(3-ethoxycyclobutyl)-1,1-diethylguanidine

C11H23N3O — CID 122098565

IUPAC2-(3-ethoxycyclobutyl)-1,1-diethylguanidine
SMILESCCOC1CC(/N=C(\N)N(CC)CC)C1
InChIInChI=1S/C11H23N3O/c1-4-14(5-2)11(12)13-9-7-10(8-9)15-6-3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyBUXNOJAJGOHJHC-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.21
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine

2-(3-ethoxycyclobutyl)-1,1-diethylguanidine (PubChem CID 122098565) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1,1-diethylguanidine
PubChem CID122098565
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(3-ethoxycyclobutyl)-1,1-diethylguanidine
SMILESCCOC1CC(/N=C(\N)N(CC)CC)C1
InChIInChI=1S/C11H23N3O/c1-4-14(5-2)11(12)13-9-7-10(8-9)15-6-3/h9-10H,4-8H2,1-3H3,(H2,12,13)
InChIKeyBUXNOJAJGOHJHC-UHFFFAOYSA-N
XLogP1.21
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
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

2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102994219
1,1-diethyl-2-[3-[4-(trifluoromethyl)phenyl]cyclobutyl]guanidine
CID 122082528
2-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-1,1-diethylguanidine
CID 122099422
N'-amino-2-(3-ethoxycyclobutyl)ethanimidamide
CID 103166323
1-benzyl-2-cyclopropyl-1-ethylguanidine
CID 62361210
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
3-ethoxycyclobutane-1-carboximidamide;hydrochloride
CID 105437788
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
1,1-diethyl-2-(2-ethyl-2-propan-2-ylcyclopropyl)guanidine
CID 122098460

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine (CID 122098565) is 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine is CCOC1CC(/N=C(\N)N(CC)CC)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine?
The InChIKey is BUXNOJAJGOHJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-14(5-2)11(12)13-9-7-10(8-9)15-6-3/h9-10H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine?
2-(3-ethoxycyclobutyl)-1,1-diethylguanidine has a molecular weight of 213.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1,1-diethylguanidine is sourced from PubChem (CID 122098565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).