methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate

C13H23NO2 — CID 19865148

IUPACmethyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate
SMILESC=C(C)C(N)CCC(C)C/C=C/C(=O)OC
InChIInChI=1S/C13H23NO2/c1-10(2)12(14)9-8-11(3)6-5-7-13(15)16-4/h5,7,11-12H,1,6,8-9,14H2,2-4H3/b7-5+
InChIKeyAOHUXSQJGPTXOB-FNORWQNLSA-N
MW225.33 g/mol
LogP2.43
Rot. Bonds7

About methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate

methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate (PubChem CID 19865148) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate.

Molecular Properties

Compound Namemethyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate
PubChem CID19865148
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate
SMILESC=C(C)C(N)CCC(C)C/C=C/C(=O)OC
InChIInChI=1S/C13H23NO2/c1-10(2)12(14)9-8-11(3)6-5-7-13(15)16-4/h5,7,11-12H,1,6,8-9,14H2,2-4H3/b7-5+
InChIKeyAOHUXSQJGPTXOB-FNORWQNLSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 10-amino-5,9-dimethyldeca-2,8-dienoate
CID 54405734
methyl (2E,4E)-3,7,10,11-tetramethyldodeca-2,4-dienoate
CID 21437627
dimethyl (Z,6S)-6-aminohept-2-enedioate
CID 152821933
(E,2S)-2-amino-7-methoxy-7-oxohept-5-enoic acid
CID 146012830
methyl 5,5-dimethoxypent-2-enoate
CID 71373953
methyl (4Z)-3,7,11-trimethyldodeca-2,4,10-trienoate
CID 86733723
methyl (2E,4E)-3,7,11,11-tetramethyldodeca-2,4-dienoate
CID 21437723
ethyl (2E,4E)-3,7,10-trimethylundeca-2,4-dienoate
CID 21437517
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
methyl (E)-5,5-dicyanopent-2-enoate
CID 134993883
dimethyl 2-[(2E)-4-methylpenta-2,4-dienyl]propanedioate
CID 14737677
methyl 7-methyl-6-methylidene-4-propan-2-ylideneoct-2-enoate
CID 539186

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate?
The IUPAC name of methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate (CID 19865148) is methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate.
What is the SMILES notation for methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate?
The canonical SMILES for methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate is C=C(C)C(N)CCC(C)C/C=C/C(=O)OC.
What is the InChIKey of methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate?
The InChIKey is AOHUXSQJGPTXOB-FNORWQNLSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)12(14)9-8-11(3)6-5-7-13(15)16-4/h5,7,11-12H,1,6,8-9,14H2,2-4H3/b7-5+.
What are the key properties of methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate?
methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate has a molecular weight of 225.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-8-amino-5,9-dimethyldeca-2,9-dienoate is sourced from PubChem (CID 19865148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).