1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine

C19H37N5 — CID 175034745

IUPAC1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine
SMILESC1CCC(NC(=NCCC2CNCCN2)NC2CCCCC2)CC1
InChIInChI=1S/C19H37N5/c1-3-7-16(8-4-1)23-19(24-17-9-5-2-6-10-17)22-12-11-18-15-20-13-14-21-18/h16-18,20-21H,1-15H2,(H2,22,23,24)
InChIKeyOIGVQWRMTSENED-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.14
Rot. Bonds5

About 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine

1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine (PubChem CID 175034745) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine
PubChem CID175034745
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC Name1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine
SMILESC1CCC(NC(=NCCC2CNCCN2)NC2CCCCC2)CC1
InChIInChI=1S/C19H37N5/c1-3-7-16(8-4-1)23-19(24-17-9-5-2-6-10-17)22-12-11-18-15-20-13-14-21-18/h16-18,20-21H,1-15H2,(H2,22,23,24)
InChIKeyOIGVQWRMTSENED-UHFFFAOYSA-N
XLogP2.14
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dicyclohexylpiperidine-1-carboximidamide
CID 10379543
1,2,3-Tricyclohexylguanidine
CID 316544
1-[2-[[Amino-(cyclohexylamino)methylidene]amino]ethyl]-1-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-2-cyclohexylguanidine
CID 49863361
2-[3-[2-[Bis(cyclohexylamino)methylideneamino]ethylamino]propyl]-1,3-dicyclohexylguanidine
CID 44313878
N,N'-dicyclohexyl-4-pyrrolidin-1-ylpiperidine-1-carboximidamide
CID 101405086
1-(1-Cyclohexylpiperidin-3-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 112031613
1-(1-Cyclohexylpiperidin-4-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 112033548
1-(1-Cyclohexylpiperidin-4-yl)-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 112033549
1-(1-Cyclohexylpiperidin-4-yl)-3-ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 112033556
1-(1-Cyclohexylpiperidin-4-yl)-3-ethyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 112033557
1,3-dicyclohexyl-2-[2-[3-[(N,N'-dicyclohexylcarbamimidoyl)amino]propylamino]ethyl]guanidine
CID 176544057
N,N'-dicyclohexylpiperazine-1-carboximidamide
CID 12558941

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine?
The IUPAC name of 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine (CID 175034745) is 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine is C1CCC(NC(=NCCC2CNCCN2)NC2CCCCC2)CC1.
What is the InChIKey of 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine?
The InChIKey is OIGVQWRMTSENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-3-7-16(8-4-1)23-19(24-17-9-5-2-6-10-17)22-12-11-18-15-20-13-14-21-18/h16-18,20-21H,1-15H2,(H2,22,23,24).
What are the key properties of 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine?
1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine has a molecular weight of 335.54 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-(2-piperazin-2-ylethyl)guanidine is sourced from PubChem (CID 175034745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).