1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine

C11H24N4 — CID 104882016

IUPAC1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine
SMILESCCC(N/C(=N/C)NN)C1CCCCC1
InChIInChI=1S/C11H24N4/c1-3-10(14-11(13-2)15-12)9-7-5-4-6-8-9/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyGTWPGKGOFAZVSE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.38
Rot. Bonds3

About 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine

1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine (PubChem CID 104882016) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine
PubChem CID104882016
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine
SMILESCCC(N/C(=N/C)NN)C1CCCCC1
InChIInChI=1S/C11H24N4/c1-3-10(14-11(13-2)15-12)9-7-5-4-6-8-9/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyGTWPGKGOFAZVSE-UHFFFAOYSA-N
XLogP1.38
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.38
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-3-(1-cyclohexylpropyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine (CID 104882016) is 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine is CCC(N/C(=N/C)NN)C1CCCCC1.
What is the InChIKey of 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine?
The InChIKey is GTWPGKGOFAZVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-10(14-11(13-2)15-12)9-7-5-4-6-8-9/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine?
1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine has a molecular weight of 212.34 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1-cyclohexylpropyl)-2-methylguanidine is sourced from PubChem (CID 104882016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).