1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine

C12H25N3O — CID 104587584

IUPAC1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)OCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)16-9-8-14-12(13)15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyXUWJRVMMAJFODO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds5

About 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine

1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine (PubChem CID 104587584) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine
PubChem CID104587584
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)OCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C12H25N3O/c1-10(2)16-9-8-14-12(13)15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15)
InChIKeyXUWJRVMMAJFODO-UHFFFAOYSA-N
XLogP1.65
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-methylmorpholine-4-carboximidamide
CID 172436430
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
CID 120486265
1,3-Dicyclohexyl-2-(2-methoxyethyl)guanidine
CID 58030657
1,3-Dicyclohexyl-2-(2-methoxypropyl)guanidine
CID 118456465
1,3-Dicyclohexyl-2-(2-ethoxyethyl)guanidine
CID 143398662
1-(4-Methoxycyclohexyl)-2-methylguanidine
CID 167021577
1-(4-Ethoxycyclohexyl)-2-methylguanidine
CID 167022074
N-cyclohexyl-5-methyl-4,5-dihydro-1,3-oxazol-2-amine
CID 17382953
1-Cyclohexyl-2-(2-methoxycyclopentyl)guanidine
CID 55063731
1-Cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine
CID 55064067

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine (CID 104587584) is 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine is CC(C)OCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is XUWJRVMMAJFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10(2)16-9-8-14-12(13)15-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine?
1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 227.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 104587584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).