2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine

C10H17N5 — CID 142459433

IUPAC2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCC1=CCCC=C1
InChIInChI=1S/C10H17N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H6,11,12,13,14,15)
InChIKeyDCYAOVREFWPYKM-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.24
Rot. Bonds3

About 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine

2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine (PubChem CID 142459433) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine
PubChem CID142459433
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/CCC1=CCCC=C1
InChIInChI=1S/C10H17N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H6,11,12,13,14,15)
InChIKeyDCYAOVREFWPYKM-UHFFFAOYSA-N
XLogP0.24
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine (CID 142459433) is 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/CCC1=CCCC=C1.
What is the InChIKey of 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine?
The InChIKey is DCYAOVREFWPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-9(12)15-10(13)14-7-6-8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H6,11,12,13,14,15).
What are the key properties of 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine?
2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexa-1,5-dien-1-ylethyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 142459433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).