(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine

C15H27N3 — CID 143157306

IUPAC(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine
SMILESC/C=c1/cccc/c1=C/C.CC.CCN=C(N)N
InChIInChI=1S/C10H12.C3H9N3.C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-2-6-3(4)5;1-2/h3-8H,1-2H3;2H2,1H3,(H4,4,5,6);1-2H3/b9-3-,10-4-;;
InChIKeyBXBCQOCAJPKJBK-YMKLDEDPSA-N
MW249.40 g/mol
LogP1.59
Rot. Bonds1

About (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine

(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine (PubChem CID 143157306) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine.

Molecular Properties

Compound Name(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine
PubChem CID143157306
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine
SMILESC/C=c1/cccc/c1=C/C.CC.CCN=C(N)N
InChIInChI=1S/C10H12.C3H9N3.C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-2-6-3(4)5;1-2/h3-8H,1-2H3;2H2,1H3,(H4,4,5,6);1-2H3/b9-3-,10-4-;;
InChIKeyBXBCQOCAJPKJBK-YMKLDEDPSA-N
XLogP1.59
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
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 (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine?
The IUPAC name of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine (CID 143157306) is (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine.
What is the SMILES notation for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine?
The canonical SMILES for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine is C/C=c1/cccc/c1=C/C.CC.CCN=C(N)N.
What is the InChIKey of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine?
The InChIKey is BXBCQOCAJPKJBK-YMKLDEDPSA-N. The full InChI is InChI=1S/C10H12.C3H9N3.C2H6/c1-3-9-7-5-6-8-10(9)4-2;1-2-6-3(4)5;1-2/h3-8H,1-2H3;2H2,1H3,(H4,4,5,6);1-2H3/b9-3-,10-4-;;.
What are the key properties of (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine?
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine has a molecular weight of 249.40 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane;2-ethylguanidine is sourced from PubChem (CID 143157306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).