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

C11H21N3 — CID 118719543

IUPAC[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
SMILESCC(C)=CCC/C(C)=C/C=N/C(N)N
InChIInChI=1S/C11H21N3/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,7-8,11H,4,6,12-13H2,1-3H3/b10-7+,14-8+
InChIKeyWAVHCFLKKMIHPX-XFUBVATKSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds5

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

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine (PubChem CID 118719543) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine.

Molecular Properties

Compound Name[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
PubChem CID118719543
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
SMILESCC(C)=CCC/C(C)=C/C=N/C(N)N
InChIInChI=1S/C11H21N3/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,7-8,11H,4,6,12-13H2,1-3H3/b10-7+,14-8+
InChIKeyWAVHCFLKKMIHPX-XFUBVATKSA-N
XLogP1.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 60138467
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CID 73829296
CID 73829296
CID 91299929
CID 91299929
CID 123193439
CID 123193439
CID 123329124
CID 123329124
CID 123352256
CID 123352256
CID 123422802
CID 123422802
CID 123743575
CID 123743575
CID 129312448
CID 129312448
CID 134463859
CID 134463859

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine?
The IUPAC name of [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine (CID 118719543) is [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine.
What is the SMILES notation for [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine?
The canonical SMILES for [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine is CC(C)=CCC/C(C)=C/C=N/C(N)N.
What is the InChIKey of [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine?
The InChIKey is WAVHCFLKKMIHPX-XFUBVATKSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,7-8,11H,4,6,12-13H2,1-3H3/b10-7+,14-8+.
What are the key properties of [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine?
[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine is sourced from PubChem (CID 118719543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).