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

C12H26N4 — CID 26514

IUPAC2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine
SMILESCCCN(CCN=C(N)N)C1CCCCC1
InChIInChI=1S/C12H26N4/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H4,13,14,15)
InChIKeyHGUSTOPFDKEPHV-UHFFFAOYSA-N
MW226.37 g/mol
LogP1.30
Rot. Bonds6

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

2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine (PubChem CID 26514) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine
PubChem CID26514
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine
SMILESCCCN(CCN=C(N)N)C1CCCCC1
InChIInChI=1S/C12H26N4/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H4,13,14,15)
InChIKeyHGUSTOPFDKEPHV-UHFFFAOYSA-N
XLogP1.30
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 51.30
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(propyl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine (CID 26514) is 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine is CCCN(CCN=C(N)N)C1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine?
The InChIKey is HGUSTOPFDKEPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-2-9-16(10-8-15-12(13)14)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H4,13,14,15).
What are the key properties of 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine?
2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine has a molecular weight of 226.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine is sourced from PubChem (CID 26514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).