2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine

C14H27N3O — CID 62362286

IUPAC2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
SMILESCCN(CC1CCCO1)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-2-17(11-13-9-6-10-18-13)14(15)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyOIIZENIFESOHHL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.13
Rot. Bonds4

About 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine

2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine (PubChem CID 62362286) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
PubChem CID62362286
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine
SMILESCCN(CC1CCCO1)/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N3O/c1-2-17(11-13-9-6-10-18-13)14(15)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16)
InChIKeyOIIZENIFESOHHL-UHFFFAOYSA-N
XLogP2.13
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.13
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 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine (CID 62362286) is 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine is CCN(CC1CCCO1)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
The InChIKey is OIIZENIFESOHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-17(11-13-9-6-10-18-13)14(15)16-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine?
2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine has a molecular weight of 253.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-ethyl-1-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 62362286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).