(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal

C15H19NO — CID 145060013

IUPAC(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal
SMILESC=C(/C=C/C(=C)C(=C)/C=C(/C=O)C(=C)N)CC
InChIInChI=1S/C15H19NO/c1-6-11(2)7-8-12(3)13(4)9-15(10-17)14(5)16/h7-10H,2-6,16H2,1H3/b8-7-,15-9-
InChIKeyRTUNQMSBOZJNGP-HNIGGUEPSA-N
MW229.32 g/mol
LogP3.22
Rot. Bonds7

About (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal

(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal (PubChem CID 145060013) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal.

Molecular Properties

Compound Name(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal
PubChem CID145060013
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal
SMILESC=C(/C=C/C(=C)C(=C)/C=C(/C=O)C(=C)N)CC
InChIInChI=1S/C15H19NO/c1-6-11(2)7-8-12(3)13(4)9-15(10-17)14(5)16/h7-10H,2-6,16H2,1H3/b8-7-,15-9-
InChIKeyRTUNQMSBOZJNGP-HNIGGUEPSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal with MolForge

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Related Compounds

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(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
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propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 142281411
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
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(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
ethyl (E)-4-methylidenehex-2-enoate
CID 11126476
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
(4Z,8Z,12Z)-8-ethyl-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;N-methyl-N-methylsulfanylmethanamine;propane
CID 145235020
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200

Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal?
The IUPAC name of (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal (CID 145060013) is (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal.
What is the SMILES notation for (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal?
The canonical SMILES for (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal is C=C(/C=C/C(=C)C(=C)/C=C(/C=O)C(=C)N)CC.
What is the InChIKey of (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal?
The InChIKey is RTUNQMSBOZJNGP-HNIGGUEPSA-N. The full InChI is InChI=1S/C15H19NO/c1-6-11(2)7-8-12(3)13(4)9-15(10-17)14(5)16/h7-10H,2-6,16H2,1H3/b8-7-,15-9-.
What are the key properties of (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal?
(2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal has a molecular weight of 229.32 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-2-(1-aminoethenyl)-4,5,8-trimethylidenedeca-2,6-dienal is sourced from PubChem (CID 145060013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).