1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine

C12H23N3O — CID 122096356

IUPAC1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine
SMILESCOC1(CC/N=C(\N)NC2CCC2)CCC1
InChIInChI=1S/C12H23N3O/c1-16-12(6-3-7-12)8-9-14-11(13)15-10-4-2-5-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyQORRIACUMRCHMF-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.40
Rot. Bonds5

About 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine

1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine (PubChem CID 122096356) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine
PubChem CID122096356
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine
SMILESCOC1(CC/N=C(\N)NC2CCC2)CCC1
InChIInChI=1S/C12H23N3O/c1-16-12(6-3-7-12)8-9-14-11(13)15-10-4-2-5-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyQORRIACUMRCHMF-UHFFFAOYSA-N
XLogP1.40
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.40
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-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
CID 122096119
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine
CID 122096624
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclohexyl-2-(3-hydroxy-4-methoxybutyl)guanidine
CID 106248106
1-cyclohexyl-2-ethylguanidine
CID 18727697
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine (CID 122096356) is 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine is COC1(CC/N=C(\N)NC2CCC2)CCC1.
What is the InChIKey of 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine?
The InChIKey is QORRIACUMRCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-16-12(6-3-7-12)8-9-14-11(13)15-10-4-2-5-10/h10H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine?
1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine is sourced from PubChem (CID 122096356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).