1-cyclohexyl-2-(2-methoxypropyl)guanidine

C11H23N3O — CID 102698573

IUPAC1-cyclohexyl-2-(2-methoxypropyl)guanidine
SMILESCOC(C)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-9(15-2)8-13-11(12)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyZOTVIWLIGJILMJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.26
Rot. Bonds4

About 1-cyclohexyl-2-(2-methoxypropyl)guanidine

1-cyclohexyl-2-(2-methoxypropyl)guanidine (PubChem CID 102698573) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methoxypropyl)guanidine
PubChem CID102698573
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-cyclohexyl-2-(2-methoxypropyl)guanidine
SMILESCOC(C)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-9(15-2)8-13-11(12)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,12,13,14)
InChIKeyZOTVIWLIGJILMJ-UHFFFAOYSA-N
XLogP1.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.26
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

Cyclohexylamine, N-(2-oxazolin-2-yl)-
CID 98701
1-Cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63363232
1-Cyclohexyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 103090732
1-Cyclohexyl-2-[2-(trifluoromethoxy)ethyl]guanidine;hydroiodide
CID 120486264
1-Cyclohexyl-2-[2-(trifluoromethoxy)ethyl]guanidine
CID 120486265
N-cyclohexyl-5,5-dideuterio-4H-1,3-oxazol-2-amine
CID 12696606
1,3-Dicyclohexyl-2-(2-methoxyethyl)guanidine
CID 58030657
1,3-Dicyclohexyl-2-(2-methoxypropyl)guanidine
CID 118456465
2-Cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine;molecular hydrogen
CID 142339301
2-Cyclohexyl-1-ethyl-3-hexan-3-yl-1-(2-methoxyethyl)guanidine
CID 142339302
propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
CID 142460912
molecular hydrogen;propan-2-yl N'-cyclohexyl-N-hexan-3-ylcarbamimidate
CID 142513334

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methoxypropyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-methoxypropyl)guanidine (CID 102698573) is 1-cyclohexyl-2-(2-methoxypropyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-methoxypropyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-methoxypropyl)guanidine is COC(C)C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methoxypropyl)guanidine?
The InChIKey is ZOTVIWLIGJILMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(15-2)8-13-11(12)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-cyclohexyl-2-(2-methoxypropyl)guanidine?
1-cyclohexyl-2-(2-methoxypropyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methoxypropyl)guanidine is sourced from PubChem (CID 102698573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).