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

C14H29N3O2 — CID 55064106

IUPAC2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCCN(/C(N)=N/C1CCCCC1)C(C)COC
InChIInChI=1S/C14H29N3O2/c1-12(11-19-3)17(9-10-18-2)14(15)16-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H2,15,16)
InChIKeyWFFMPXWOKNLNJR-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.62
Rot. Bonds7

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

2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 55064106) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
PubChem CID55064106
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCCN(/C(N)=N/C1CCCCC1)C(C)COC
InChIInChI=1S/C14H29N3O2/c1-12(11-19-3)17(9-10-18-2)14(15)16-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H2,15,16)
InChIKeyWFFMPXWOKNLNJR-UHFFFAOYSA-N
XLogP1.62
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine (CID 55064106) is 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine is COCCN(/C(N)=N/C1CCCCC1)C(C)COC.
What is the InChIKey of 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is WFFMPXWOKNLNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(11-19-3)17(9-10-18-2)14(15)16-13-7-5-4-6-8-13/h12-13H,4-11H2,1-3H3,(H2,15,16).
What are the key properties of 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine?
2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 271.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 55064106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).