2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide

C12H23N3 — CID 162127743

IUPAC2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide
SMILES[H]/N=C(\N)C/N=C/CC(C)CCC=C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)5-4-6-11(3)7-8-15-9-12(13)14/h5,8,11H,4,6-7,9H2,1-3H3,(H3,13,14)/b15-8+
InChIKeyCPVSCWNSRMHXSP-OVCLIPMQSA-N
MW209.34 g/mol
LogP2.77
Rot. Bonds7

About 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide

2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide (PubChem CID 162127743) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide.

Molecular Properties

Compound Name2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide
PubChem CID162127743
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide
SMILES[H]/N=C(\N)C/N=C/CC(C)CCC=C(C)C
InChIInChI=1S/C12H23N3/c1-10(2)5-4-6-11(3)7-8-15-9-12(13)14/h5,8,11H,4,6-7,9H2,1-3H3,(H3,13,14)/b15-8+
InChIKeyCPVSCWNSRMHXSP-OVCLIPMQSA-N
XLogP2.77
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.77
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'}

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Related Compounds

(2E)-2-(2-iminoethylidene)-3,5-dimethylhexanimidamide
CID 123320230
N-(3-methyl-2-methylideneheptylidene)ethanimidamide
CID 124009967
[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium
CID 163569211
(Z)-N'-ethyl-3,5-dimethyloct-5-enimidamide
CID 167098769
2-(3,7-Dimethyloct-6-enylideneamino)guanidine
CID 415337
2-[(Z)-3,7-dimethyloct-6-enylideneamino]guanidine
CID 5474398
2-[(E)-3,7-dimethyloct-6-enylideneamino]guanidine
CID 9573038
2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide
CID 160588047
2-(3,7-Dimethylocta-2,6-dienylideneamino)ethanimidamide
CID 161695260

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide?
The IUPAC name of 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide (CID 162127743) is 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide.
What is the SMILES notation for 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide?
The canonical SMILES for 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide is [H]/N=C(\N)C/N=C/CC(C)CCC=C(C)C.
What is the InChIKey of 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide?
The InChIKey is CPVSCWNSRMHXSP-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)5-4-6-11(3)7-8-15-9-12(13)14/h5,8,11H,4,6-7,9H2,1-3H3,(H3,13,14)/b15-8+.
What are the key properties of 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide?
2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide has a molecular weight of 209.34 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyloct-6-enylideneamino)ethanimidamide is sourced from PubChem (CID 162127743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).