2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide

C12H21N3 — CID 160588047

IUPAC2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21N3/c1-10(2)5-4-6-11(3)7-8-15-9-12(13)14/h5,7-8H,4,6,9H2,1-3H3,(H3,13,14)/b11-7+,15-8+
InChIKeyFXULVNVXFQWQHB-YQQAFNMCSA-N
MW207.32 g/mol
LogP2.69
Rot. Bonds6

About 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide

2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide (PubChem CID 160588047) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide.

Molecular Properties

Compound Name2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide
PubChem CID160588047
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21N3/c1-10(2)5-4-6-11(3)7-8-15-9-12(13)14/h5,7-8H,4,6,9H2,1-3H3,(H3,13,14)/b11-7+,15-8+
InChIKeyFXULVNVXFQWQHB-YQQAFNMCSA-N
XLogP2.69
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.69
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

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
N-[(Z)-3-methylpent-2-enylidene]methanimidamide
CID 142076324
[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium
CID 163569211
ethane;N-[(Z)-pent-2-enylidene]ethanimidamide
CID 176556933
ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide
CID 176556935
2-(3,7-Dimethylocta-2,6-dienylideneamino)ethanimidamide
CID 161695260
2-(3,7-Dimethyloct-6-enylideneamino)ethanimidamide
CID 162127743
[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine
CID 169233484

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide?
The IUPAC name of 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide (CID 160588047) is 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide.
What is the SMILES notation for 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide?
The canonical SMILES for 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide is [H]/N=C(\N)C/N=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide?
The InChIKey is FXULVNVXFQWQHB-YQQAFNMCSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)5-4-6-11(3)7-8-15-9-12(13)14/h5,7-8H,4,6,9H2,1-3H3,(H3,13,14)/b11-7+,15-8+.
What are the key properties of 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide?
2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide is sourced from PubChem (CID 160588047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).