1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine

C14H29N3O — CID 62362083

IUPAC1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine
SMILESCCC(C)N(CCOC)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-12(2)17(10-11-18-3)14(15)16-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H2,15,16)
InChIKeyWPIOSADLNOBNCH-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.38
Rot. Bonds6

About 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine

1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine (PubChem CID 62362083) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine
PubChem CID62362083
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine
SMILESCCC(C)N(CCOC)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H29N3O/c1-4-12(2)17(10-11-18-3)14(15)16-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H2,15,16)
InChIKeyWPIOSADLNOBNCH-UHFFFAOYSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine (CID 62362083) is 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine is CCC(C)N(CCOC)/C(N)=N/C1CCCCC1.
What is the InChIKey of 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine?
The InChIKey is WPIOSADLNOBNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12(2)17(10-11-18-3)14(15)16-13-8-6-5-7-9-13/h12-13H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine?
1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine has a molecular weight of 255.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-cyclohexyl-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 62362083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).