ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane

C24H43N3 — CID 143538925

IUPACethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane
SMILESC=C.C=CC/C(=C\C)C/N=c1\ccccn1CN.CCCCCCCCC
InChIInChI=1S/C13H19N3.C9H20.C2H4/c1-3-7-12(4-2)10-15-13-8-5-6-9-16(13)11-14;1-3-5-7-9-8-6-4-2;1-2/h3-6,8-9H,1,7,10-11,14H2,2H3;3-9H2,1-2H3;1-2H2/b12-4+,15-13+;;
InChIKeyGVKQYASKVGWUIP-QXFPFAPKSA-N
MW373.63 g/mol
LogP6.39
Rot. Bonds11

About ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane

ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane (PubChem CID 143538925) has the molecular formula C24H43N3 and a molecular weight of 373.63 g/mol. Its IUPAC name is ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane.

Molecular Properties

Compound Nameethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane
PubChem CID143538925
Molecular FormulaC24H43N3
Molecular Weight373.63 g/mol
Exact Mass373.35
IUPAC Nameethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane
SMILESC=C.C=CC/C(=C\C)C/N=c1\ccccn1CN.CCCCCCCCC
InChIInChI=1S/C13H19N3.C9H20.C2H4/c1-3-7-12(4-2)10-15-13-8-5-6-9-16(13)11-14;1-3-5-7-9-8-6-4-2;1-2/h3-6,8-9H,1,7,10-11,14H2,2H3;3-9H2,1-2H3;1-2H2/b12-4+,15-13+;;
InChIKeyGVKQYASKVGWUIP-QXFPFAPKSA-N
XLogP6.39
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-methylpyridin-2-imine
CID 5209765
[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine
CID 143538926

Frequently Asked Questions

What is the IUPAC name of ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane?
The IUPAC name of ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane (CID 143538925) is ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane.
What is the SMILES notation for ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane?
The canonical SMILES for ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane is C=C.C=CC/C(=C\C)C/N=c1\ccccn1CN.CCCCCCCCC.
What is the InChIKey of ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane?
The InChIKey is GVKQYASKVGWUIP-QXFPFAPKSA-N. The full InChI is InChI=1S/C13H19N3.C9H20.C2H4/c1-3-7-12(4-2)10-15-13-8-5-6-9-16(13)11-14;1-3-5-7-9-8-6-4-2;1-2/h3-6,8-9H,1,7,10-11,14H2,2H3;3-9H2,1-2H3;1-2H2/b12-4+,15-13+;;.
What are the key properties of ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane?
ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane has a molecular weight of 373.63 g/mol, XLogP of 6.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;[2-[(2E)-2-ethylidenepent-4-enyl]imino-1-pyridinyl]methanamine;nonane is sourced from PubChem (CID 143538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).