[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium

C12H22N3+ — CID 163569211

IUPAC[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium
SMILESCC(C)=CCC/C(C)=C/C=N/CC(N)=[NH2+]
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)/p+1/b11-7+,15-8+
InChIKeyFXULVNVXFQWQHB-YQQAFNMCSA-O
MW208.33 g/mol
LogP0.87
Rot. Bonds6

About [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium

[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium (PubChem CID 163569211) has the molecular formula C12H22N3+ and a molecular weight of 208.33 g/mol. Its IUPAC name is [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium.

Molecular Properties

Compound Name[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium
PubChem CID163569211
Molecular FormulaC12H22N3+
Molecular Weight208.33 g/mol
Exact Mass208.18
IUPAC Name[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium
SMILESCC(C)=CCC/C(C)=C/C=N/CC(N)=[NH2+]
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)/p+1/b11-7+,15-8+
InChIKeyFXULVNVXFQWQHB-YQQAFNMCSA-O
XLogP0.87
TPSA63.97 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.87
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'}, {'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
ethane;N-[(Z)-pent-2-enylidene]ethanimidamide
CID 176556933
ethane;N-[(Z)-2-methylpent-2-enylidene]methanimidamide
CID 176556935
2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethanimidamide
CID 160588047
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 [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium?
The IUPAC name of [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium (CID 163569211) is [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium.
What is the SMILES notation for [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium?
The canonical SMILES for [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium is CC(C)=CCC/C(C)=C/C=N/CC(N)=[NH2+].
What is the InChIKey of [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium?
The InChIKey is FXULVNVXFQWQHB-YQQAFNMCSA-O. 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)/p+1/b11-7+,15-8+.
What are the key properties of [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium?
[1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium has a molecular weight of 208.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]ethylidene]azanium is sourced from PubChem (CID 163569211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).