(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine

C15H24N2 — CID 146587969

IUPAC(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine
SMILESC=CN(/N=C\C)C(/C=C\C/C(=C\C)CC)=C/C
InChIInChI=1S/C15H24N2/c1-6-14(7-2)12-11-13-15(8-3)17(10-5)16-9-4/h6,8-11,13H,5,7,12H2,1-4H3/b13-11-,14-6-,15-8+,16-9-
InChIKeyRVLIOHNHSQZFPH-DVWIHURESA-N
MW232.37 g/mol
LogP4.64
Rot. Bonds7

About (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine

(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine (PubChem CID 146587969) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine
PubChem CID146587969
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine
SMILESC=CN(/N=C\C)C(/C=C\C/C(=C\C)CC)=C/C
InChIInChI=1S/C15H24N2/c1-6-14(7-2)12-11-13-15(8-3)17(10-5)16-9-4/h6,8-11,13H,5,7,12H2,1-4H3/b13-11-,14-6-,15-8+,16-9-
InChIKeyRVLIOHNHSQZFPH-DVWIHURESA-N
XLogP4.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine?
The IUPAC name of (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine (CID 146587969) is (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine.
What is the SMILES notation for (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine?
The canonical SMILES for (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine is C=CN(/N=C\C)C(/C=C\C/C(=C\C)CC)=C/C.
What is the InChIKey of (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine?
The InChIKey is RVLIOHNHSQZFPH-DVWIHURESA-N. The full InChI is InChI=1S/C15H24N2/c1-6-14(7-2)12-11-13-15(8-3)17(10-5)16-9-4/h6,8-11,13H,5,7,12H2,1-4H3/b13-11-,14-6-,15-8+,16-9-.
What are the key properties of (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine?
(2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine has a molecular weight of 232.37 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7Z)-N-ethenyl-7-ethyl-N-[(Z)-ethylideneamino]nona-2,4,7-trien-3-amine is sourced from PubChem (CID 146587969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).