2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine

C10H22N4 — CID 26506

IUPAC2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine
SMILESCN(CCN=C(N)N)C1CCCCC1
InChIInChI=1S/C10H22N4/c1-14(8-7-13-10(11)12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H4,11,12,13)
InChIKeyILZNQIXWPJXOCK-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.52
Rot. Bonds4

About 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine

2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine (PubChem CID 26506) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine
PubChem CID26506
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine
SMILESCN(CCN=C(N)N)C1CCCCC1
InChIInChI=1S/C10H22N4/c1-14(8-7-13-10(11)12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H4,11,12,13)
InChIKeyILZNQIXWPJXOCK-UHFFFAOYSA-N
XLogP0.52
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[2-[cyclohexyl(methyl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine (CID 26506) is 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine is CN(CCN=C(N)N)C1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine?
The InChIKey is ILZNQIXWPJXOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-14(8-7-13-10(11)12)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H4,11,12,13).
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine?
2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine has a molecular weight of 198.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]ethyl]guanidine is sourced from PubChem (CID 26506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).