2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine

C11H20N4 — CID 92524255

IUPAC2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine
SMILESCC(C)=CCC/C(C)=C\C=N/N=C(N)N
InChIInChI=1S/C11H20N4/c1-9(2)5-4-6-10(3)7-8-14-15-11(12)13/h5,7-8H,4,6H2,1-3H3,(H4,12,13,15)/b10-7-,14-8-
InChIKeyNMAYRRIAIHEYOJ-WCZATXKWSA-N
MW208.31 g/mol
LogP1.94
Rot. Bonds5

About 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine

2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine (PubChem CID 92524255) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine
PubChem CID92524255
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine
SMILESCC(C)=CCC/C(C)=C\C=N/N=C(N)N
InChIInChI=1S/C11H20N4/c1-9(2)5-4-6-10(3)7-8-14-15-11(12)13/h5,7-8H,4,6H2,1-3H3,(H4,12,13,15)/b10-7-,14-8-
InChIKeyNMAYRRIAIHEYOJ-WCZATXKWSA-N
XLogP1.94
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethylocta-2,6-dienal;thiourea
CID 175295951
3,7-dimethylocta-2,6-dienal
CID 8843
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2Z)-3,7-dimethylocta-2,6-dien-1-amine
CID 5362850
(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine (CID 92524255) is 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine is CC(C)=CCC/C(C)=C\C=N/N=C(N)N.
What is the InChIKey of 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine?
The InChIKey is NMAYRRIAIHEYOJ-WCZATXKWSA-N. The full InChI is InChI=1S/C11H20N4/c1-9(2)5-4-6-10(3)7-8-14-15-11(12)13/h5,7-8H,4,6H2,1-3H3,(H4,12,13,15)/b10-7-,14-8-.
What are the key properties of 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine?
2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine has a molecular weight of 208.31 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2Z)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine is sourced from PubChem (CID 92524255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).