1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

C13H26N4O2 — CID 104888799

IUPAC1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\NN)NC2CCCCC2)CCOC1
InChIInChI=1S/C13H26N4O2/c1-18-13(7-8-19-10-13)9-15-12(17-14)16-11-5-3-2-4-6-11/h11H,2-10,14H2,1H3,(H2,15,16,17)
InChIKeyAUWMSRWMSXPNFC-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.53
Rot. Bonds4

About 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine

1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (PubChem CID 104888799) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
PubChem CID104888799
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine
SMILESCOC1(C/N=C(\NN)NC2CCCCC2)CCOC1
InChIInChI=1S/C13H26N4O2/c1-18-13(7-8-19-10-13)9-15-12(17-14)16-11-5-3-2-4-6-11/h11H,2-10,14H2,1H3,(H2,15,16,17)
InChIKeyAUWMSRWMSXPNFC-UHFFFAOYSA-N
XLogP0.53
TPSA80.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine (CID 104888799) is 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is COC1(C/N=C(\NN)NC2CCCCC2)CCOC1.
What is the InChIKey of 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
The InChIKey is AUWMSRWMSXPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-18-13(7-8-19-10-13)9-15-12(17-14)16-11-5-3-2-4-6-11/h11H,2-10,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine?
1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine has a molecular weight of 270.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclohexyl-2-[(3-methoxyoxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 104888799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).