1,1,2,3,3-pentakis(prop-2-enyl)guanidine

C16H25N3 — CID 87262497

IUPAC1,1,2,3,3-pentakis(prop-2-enyl)guanidine
SMILESC=CCN=C(N(CC=C)CC=C)N(CC=C)CC=C
InChIInChI=1S/C16H25N3/c1-6-11-17-16(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h6-10H,1-5,11-15H2
InChIKeyPTLVKJVBFBTDID-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.88
Rot. Bonds10

About 1,1,2,3,3-pentakis(prop-2-enyl)guanidine

1,1,2,3,3-pentakis(prop-2-enyl)guanidine (PubChem CID 87262497) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1,1,2,3,3-pentakis(prop-2-enyl)guanidine.

Molecular Properties

Compound Name1,1,2,3,3-pentakis(prop-2-enyl)guanidine
PubChem CID87262497
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1,1,2,3,3-pentakis(prop-2-enyl)guanidine
SMILESC=CCN=C(N(CC=C)CC=C)N(CC=C)CC=C
InChIInChI=1S/C16H25N3/c1-6-11-17-16(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h6-10H,1-5,11-15H2
InChIKeyPTLVKJVBFBTDID-UHFFFAOYSA-N
XLogP2.88
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentakis(prop-2-enyl)guanidine?
The IUPAC name of 1,1,2,3,3-pentakis(prop-2-enyl)guanidine (CID 87262497) is 1,1,2,3,3-pentakis(prop-2-enyl)guanidine.
What is the SMILES notation for 1,1,2,3,3-pentakis(prop-2-enyl)guanidine?
The canonical SMILES for 1,1,2,3,3-pentakis(prop-2-enyl)guanidine is C=CCN=C(N(CC=C)CC=C)N(CC=C)CC=C.
What is the InChIKey of 1,1,2,3,3-pentakis(prop-2-enyl)guanidine?
The InChIKey is PTLVKJVBFBTDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-11-17-16(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h6-10H,1-5,11-15H2.
What are the key properties of 1,1,2,3,3-pentakis(prop-2-enyl)guanidine?
1,1,2,3,3-pentakis(prop-2-enyl)guanidine has a molecular weight of 259.40 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentakis(prop-2-enyl)guanidine is sourced from PubChem (CID 87262497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).