1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine

C19H29N3O — CID 122096119

IUPAC1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
SMILESCOC1(C/N=C(\N)NC2CCC2)CCC(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-23-19(14-21-18(20)22-17-8-5-9-17)12-10-16(11-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H3,20,21,22)
InChIKeyMXOYXDYHVVDYJR-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.19
Rot. Bonds5

About 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine

1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine (PubChem CID 122096119) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
PubChem CID122096119
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine
SMILESCOC1(C/N=C(\N)NC2CCC2)CCC(c2ccccc2)CC1
InChIInChI=1S/C19H29N3O/c1-23-19(14-21-18(20)22-17-8-5-9-17)12-10-16(11-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H3,20,21,22)
InChIKeyMXOYXDYHVVDYJR-UHFFFAOYSA-N
XLogP3.19
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.19
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-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine
CID 122096356
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
CID 122095621
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119148136
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
1-cyclobutyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 122096093
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclobutyl-2-(2-cyclopropyl-2-phenylethyl)guanidine
CID 122096278
1-cyclobutyl-2-[[2-(methoxymethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]guanidine
CID 166237935

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine?
The IUPAC name of 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine (CID 122096119) is 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine.
What is the SMILES notation for 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine?
The canonical SMILES for 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine is COC1(C/N=C(\N)NC2CCC2)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine?
The InChIKey is MXOYXDYHVVDYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-23-19(14-21-18(20)22-17-8-5-9-17)12-10-16(11-13-19)15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H3,20,21,22).
What are the key properties of 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine?
1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine has a molecular weight of 315.46 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-[(1-methoxy-4-phenylcyclohexyl)methyl]guanidine is sourced from PubChem (CID 122096119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).