2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine

C13H27N3O — CID 82951287

IUPAC2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
SMILESCOCCN(/C(N)=N/C1CCCCC1)C(C)C
InChIInChI=1S/C13H27N3O/c1-11(2)16(9-10-17-3)13(14)15-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUMIOQJIEDUJBEX-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.99
Rot. Bonds5

About 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine

2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine (PubChem CID 82951287) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
PubChem CID82951287
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine
SMILESCOCCN(/C(N)=N/C1CCCCC1)C(C)C
InChIInChI=1S/C13H27N3O/c1-11(2)16(9-10-17-3)13(14)15-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H2,14,15)
InChIKeyUMIOQJIEDUJBEX-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.99
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-cyclopentyl-1-propan-2-yl-1-propylguanidine
CID 62362054
2-cyclopentyl-1-pentyl-1-propan-2-ylguanidine
CID 62361423
2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62361862
2-cyclohexyl-1-(3-methoxypropyl)-1-methylguanidine
CID 63009383
2-cyclopropyl-1-pentyl-1-propan-2-ylguanidine
CID 62362135
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
CID 62362061
2-cyclopropyl-1-(cyclopropylmethyl)-1-propan-2-ylguanidine
CID 62363679
3-amino-2-cyclohexyl-1-(2-methoxyethyl)-1-methylguanidine
CID 104885414
2-cyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
CID 62362498
1-cyclopentyl-2-cyclopropyl-1-(3-methylbutyl)guanidine
CID 78967131
2-cyclohexyl-1-ethyl-1-methylguanidine
CID 18727696
2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine (CID 82951287) is 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine is COCCN(/C(N)=N/C1CCCCC1)C(C)C.
What is the InChIKey of 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine?
The InChIKey is UMIOQJIEDUJBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)16(9-10-17-3)13(14)15-12-7-5-4-6-8-12/h11-12H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine?
2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine has a molecular weight of 241.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methoxyethyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 82951287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).