[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine

C10H18N2 — CID 169233484

IUPAC[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine
SMILESC/C=C/CC/C(C)=C/C=N/CN
InChIInChI=1S/C10H18N2/c1-3-4-5-6-10(2)7-8-12-9-11/h3-4,7-8H,5-6,9,11H2,1-2H3/b4-3+,10-7+,12-8+
InChIKeyZHCFIVPAKUFWRK-DCMHWLISSA-N
MW166.27 g/mol
LogP2.28
Rot. Bonds5

About [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine

[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine (PubChem CID 169233484) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine.

Molecular Properties

Compound Name[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine
PubChem CID169233484
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine
SMILESC/C=C/CC/C(C)=C/C=N/CN
InChIInChI=1S/C10H18N2/c1-3-4-5-6-10(2)7-8-12-9-11/h3-4,7-8H,5-6,9,11H2,1-2H3/b4-3+,10-7+,12-8+
InChIKeyZHCFIVPAKUFWRK-DCMHWLISSA-N
XLogP2.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
(2Z,6Z)-3,6-bis[(Z)-prop-1-enyl]octa-2,6-diene-1,8-diimine
CID 89805399
[[(2E)-hepta-2,5-dienylidene]amino]methanamine
CID 91299929
3-(Hept-2-enylideneamino)propan-1-amine
CID 123193439
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
(7Z)-5-methyl-3,6-dihydro-2H-azonin-2-amine
CID 123352256
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
CID 123743575
(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
CID 123844789
(1Z,3Z)-1-[(Z)-ethylideneamino]-2-prop-1-en-2-ylpenta-1,3-dien-1-amine
CID 129312448

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine?
The IUPAC name of [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine (CID 169233484) is [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine.
What is the SMILES notation for [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine?
The canonical SMILES for [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine is C/C=C/CC/C(C)=C/C=N/CN.
What is the InChIKey of [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine?
The InChIKey is ZHCFIVPAKUFWRK-DCMHWLISSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-6-10(2)7-8-12-9-11/h3-4,7-8H,5-6,9,11H2,1-2H3/b4-3+,10-7+,12-8+.
What are the key properties of [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine?
[(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine has a molecular weight of 166.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E,6E)-3-methylocta-2,6-dienylidene]amino]methanamine is sourced from PubChem (CID 169233484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).