1,3-dicyclohexyl-2-ethylguanidine;piperazine

C19H39N5 — CID 174890161

IUPAC1,3-dicyclohexyl-2-ethylguanidine;piperazine
SMILESC1CNCCN1.CCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3.C4H10N2/c1-2-16-15(17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14;1-2-6-4-3-5-1/h13-14H,2-12H2,1H3,(H2,16,17,18);5-6H,1-4H2
InChIKeyDPUXHASENKANBB-UHFFFAOYSA-N
MW337.56 g/mol
LogP2.39
Rot. Bonds3

About 1,3-dicyclohexyl-2-ethylguanidine;piperazine

1,3-dicyclohexyl-2-ethylguanidine;piperazine (PubChem CID 174890161) has the molecular formula C19H39N5 and a molecular weight of 337.56 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-ethylguanidine;piperazine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-ethylguanidine;piperazine
PubChem CID174890161
Molecular FormulaC19H39N5
Molecular Weight337.56 g/mol
Exact Mass337.32
IUPAC Name1,3-dicyclohexyl-2-ethylguanidine;piperazine
SMILESC1CNCCN1.CCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3.C4H10N2/c1-2-16-15(17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14;1-2-6-4-3-5-1/h13-14H,2-12H2,1H3,(H2,16,17,18);5-6H,1-4H2
InChIKeyDPUXHASENKANBB-UHFFFAOYSA-N
XLogP2.39
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2-ethylguanidine;piperazine?
The IUPAC name of 1,3-dicyclohexyl-2-ethylguanidine;piperazine (CID 174890161) is 1,3-dicyclohexyl-2-ethylguanidine;piperazine.
What is the SMILES notation for 1,3-dicyclohexyl-2-ethylguanidine;piperazine?
The canonical SMILES for 1,3-dicyclohexyl-2-ethylguanidine;piperazine is C1CNCCN1.CCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-ethylguanidine;piperazine?
The InChIKey is DPUXHASENKANBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3.C4H10N2/c1-2-16-15(17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14;1-2-6-4-3-5-1/h13-14H,2-12H2,1H3,(H2,16,17,18);5-6H,1-4H2.
What are the key properties of 1,3-dicyclohexyl-2-ethylguanidine;piperazine?
1,3-dicyclohexyl-2-ethylguanidine;piperazine has a molecular weight of 337.56 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-ethylguanidine;piperazine is sourced from PubChem (CID 174890161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).