2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine

C11H22N4 — CID 5474398

IUPAC2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine
SMILESCC(C)=CCCC(C)C/C=N\N=C(N)N
InChIInChI=1S/C11H22N4/c1-9(2)5-4-6-10(3)7-8-14-15-11(12)13/h5,8,10H,4,6-7H2,1-3H3,(H4,12,13,15)/b14-8-
InChIKeyDENGXEOBDWNYIY-ZSOIEALJSA-N
MW210.32 g/mol
LogP2.02
Rot. Bonds6

About 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine

2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine (PubChem CID 5474398) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine
PubChem CID5474398
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine
SMILESCC(C)=CCCC(C)C/C=N\N=C(N)N
InChIInChI=1S/C11H22N4/c1-9(2)5-4-6-10(3)7-8-14-15-11(12)13/h5,8,10H,4,6-7H2,1-3H3,(H4,12,13,15)/b14-8-
InChIKeyDENGXEOBDWNYIY-ZSOIEALJSA-N
XLogP2.02
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.02
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

1-[(E)-(2-isopropyl-5-methyl-hex-4-enylidene)amino]guanidine
CID 9573054
(E)-(diaminomethylideneamino)-[(2,4,6-trimethylcyclohex-3-en-1-yl)methylidene]azanium
CID 9593858
(6S)-8-diazo-2,6-dimethyloct-2-ene
CID 72722697
2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine;hydrochloride
CID 54605666
2-[(E)-(5-methyl-2-propan-2-ylhex-4-enylidene)amino]guanidine;hydrochloride
CID 54611947
2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine
CID 6179072
7-Ethyl-3-methyl-2-methylidenenon-6-en-1-imine
CID 89282931
(Z)-4-methyl-2-propylhex-4-en-1-imine
CID 89697919
(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
CID 123320230
2,6-Dimethylhept-5-en-1-imine
CID 123800628
3,6,8-Trimethyldec-5-en-1-imine
CID 123837565
(E)-3-ethyl-4-methyldec-4-en-1-imine
CID 135182027

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine?
The IUPAC name of 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine (CID 5474398) is 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine is CC(C)=CCCC(C)C/C=N\N=C(N)N.
What is the InChIKey of 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine?
The InChIKey is DENGXEOBDWNYIY-ZSOIEALJSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)5-4-6-10(3)7-8-14-15-11(12)13/h5,8,10H,4,6-7H2,1-3H3,(H4,12,13,15)/b14-8-.
What are the key properties of 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine?
2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine has a molecular weight of 210.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine is sourced from PubChem (CID 5474398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).