1-amino-2-cyclohexylguanidine;hydrochloride

C7H17ClN4 — CID 91622736

IUPAC1-amino-2-cyclohexylguanidine;hydrochloride
SMILESCl.NN/C(N)=N/C1CCCCC1
InChIInChI=1S/C7H16N4.ClH/c8-7(11-9)10-6-4-2-1-3-5-6;/h6H,1-5,9H2,(H3,8,10,11);1H
InChIKeyWMJTZNVDDRGNJO-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.52
Rot. Bonds1

About 1-amino-2-cyclohexylguanidine;hydrochloride

1-amino-2-cyclohexylguanidine;hydrochloride (PubChem CID 91622736) has the molecular formula C7H17ClN4 and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-amino-2-cyclohexylguanidine;hydrochloride.

Molecular Properties

Compound Name1-amino-2-cyclohexylguanidine;hydrochloride
PubChem CID91622736
Molecular FormulaC7H17ClN4
Molecular Weight192.69 g/mol
Exact Mass192.11
IUPAC Name1-amino-2-cyclohexylguanidine;hydrochloride
SMILESCl.NN/C(N)=N/C1CCCCC1
InChIInChI=1S/C7H16N4.ClH/c8-7(11-9)10-6-4-2-1-3-5-6;/h6H,1-5,9H2,(H3,8,10,11);1H
InChIKeyWMJTZNVDDRGNJO-UHFFFAOYSA-N
XLogP0.52
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.52
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-amino-2-cyclohexylguanidine;hydrochloride?
The IUPAC name of 1-amino-2-cyclohexylguanidine;hydrochloride (CID 91622736) is 1-amino-2-cyclohexylguanidine;hydrochloride.
What is the SMILES notation for 1-amino-2-cyclohexylguanidine;hydrochloride?
The canonical SMILES for 1-amino-2-cyclohexylguanidine;hydrochloride is Cl.NN/C(N)=N/C1CCCCC1.
What is the InChIKey of 1-amino-2-cyclohexylguanidine;hydrochloride?
The InChIKey is WMJTZNVDDRGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.ClH/c8-7(11-9)10-6-4-2-1-3-5-6;/h6H,1-5,9H2,(H3,8,10,11);1H.
What are the key properties of 1-amino-2-cyclohexylguanidine;hydrochloride?
1-amino-2-cyclohexylguanidine;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexylguanidine;hydrochloride is sourced from PubChem (CID 91622736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).