1-(1-adamantyl)-3-amino-2-cyclohexylguanidine

C17H30N4 — CID 104882941

IUPAC1-(1-adamantyl)-3-amino-2-cyclohexylguanidine
SMILESNN/C(=N\C1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N4/c18-21-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11,18H2,(H2,19,20,21)
InChIKeyCOZAAWPMOKJEIM-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.70
Rot. Bonds2

About 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine

1-(1-adamantyl)-3-amino-2-cyclohexylguanidine (PubChem CID 104882941) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine.

Molecular Properties

Compound Name1-(1-adamantyl)-3-amino-2-cyclohexylguanidine
PubChem CID104882941
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(1-adamantyl)-3-amino-2-cyclohexylguanidine
SMILESNN/C(=N\C1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30N4/c18-21-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11,18H2,(H2,19,20,21)
InChIKeyCOZAAWPMOKJEIM-UHFFFAOYSA-N
XLogP2.70
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1-adamantyl)-3-amino-2-cyclohexylguanidine?
The IUPAC name of 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine (CID 104882941) is 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine.
What is the SMILES notation for 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine?
The canonical SMILES for 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine is NN/C(=N\C1CCCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine?
The InChIKey is COZAAWPMOKJEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c18-21-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11,18H2,(H2,19,20,21).
What are the key properties of 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine?
1-(1-adamantyl)-3-amino-2-cyclohexylguanidine has a molecular weight of 290.45 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-amino-2-cyclohexylguanidine is sourced from PubChem (CID 104882941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).